Geometry & MOs

Info

ID:	299368
PubChem CID:	117682743
Reduced:	ClFON3H21C22 (1)
Stoich.:	ABCD3E21F22 (1)
Weight, g/mol:	457.171417
ΔH_f, kcal/mol:	-25.55
Dipole, Da:	7.1
IP(EA), eV:	-8.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(2,4-difluorophenyl)methyl]-5-(1-methylpyrrole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)N2C3=C(CN(CC3)C(=O)C)C(=N2)C4=CC=C(C=C4)F

DOS

IR

Vibrations