Geometry & MOs

Info

ID:	297265
PubChem CID:	117614303
Reduced:	O2N8H24C25 (1)
Stoich.:	A2B8C24D25 (1)
Weight, g/mol:	400.171082
ΔH_f, kcal/mol:	80.07
Dipole, Da:	5.5
IP(EA), eV:	-8.91(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-cyclopentyl-4-oxo-2H-pyrazolo[4,3-c]pyridin-3-yl)amino]-2-(2,2-difluoropropyl)benzaldehyde

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)C#N)N2C3=CC=NC(=O)C3=C(N2)NC4=CC=C(C=C4)CNC(=O)C5=NC=CC=N5

DOS

IR

Vibrations