Geometry & MOs

Info

ID:	308876
PubChem CID:	126531723
Reduced:	ClON4C22H27 (1)
Stoich.:	ABC4D22E27 (1)
Weight, g/mol:	374.185509
ΔH_f, kcal/mol:	-7.62
Dipole, Da:	2.33
IP(EA), eV:	-8.65(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1,2-dihydropyrazol-3-ylidene]pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CC(C)CC(C)NC1=C2C=C(C=CC2=NC=C1Cl)C3=CN=C(N=C3)C(C)(C)O

DOS

IR

Vibrations