Geometry & MOs

Info

ID:	442864
PubChem CID:	135256633
Reduced:	O2N9H25C27 (1)
Stoich.:	A2B9C25D27 (1)
Weight, g/mol:	476.207307
ΔH_f, kcal/mol:	84.07
Dipole, Da:	5.02
IP(EA), eV:	-8.86(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3=CN=C(C=C3)C(=O)NCC4=CN=C(C=C4)C5=CN=C(C=C5)OC

DOS

IR

Vibrations