Geometry & MOs

Info

ID:

442868

PubChem CID:

135256692

Reduced:

OF2N9H21C29 (1)

Stoich.:

AB2C9D21E29 (1)

Weight, g/mol:

520.244756

ΔHf, kcal/mol:

66.26

Dipole, Da:

10.86

IP(EA), eV:

 -9.52(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[6-(3-cyclopropylpyrazol-1-yl)pyridin-3-yl]methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC(=C(N=C2)C(=O)NCC3=CN=C(C=C3)C4=C(N=CC(=C4)F)C)F)NC5=CN=CC(=C5)C#N

DOS

IR

Vibrations