Geometry & MOs

Info

ID:	309973
PubChem CID:	126571783
Reduced:	FNC16H16 (1)
Stoich.:	ABC16D16 (1)
Weight, g/mol:	554.170037
ΔH_f, kcal/mol:	18.45
Dipole, Da:	3.38
IP(EA), eV:	-9.6(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(2Z)-2-[5-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1(C/C(=C\C#N)/C2=C(C13CC3)C(=CC=C2)F)C

DOS

IR

Vibrations