Geometry & MOs

Info

ID:	331598
PubChem CID:	127249607
Reduced:	FO2N6C24H25 (1)
Stoich.:	AB2C6D24E25 (1)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	-36.67
Dipole, Da:	4.11
IP(EA), eV:	-9.21(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(cyclopropylmethyl)-4-methyl-2-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=C2CC(=O)N(C2=NC(=N1)C3CCN(C3)C(=O)C4=CN(N=C4)C)CCC5=CC=CC=C5F

DOS

IR

Vibrations