Geometry & MOs

Info

ID:	449498
PubChem CID:	135299092
Reduced:	N7H21C24 (1)
Stoich.:	A7B21C24 (1)
Weight, g/mol:	409.201494
ΔH_f, kcal/mol:	196.59
Dipole, Da:	7.97
IP(EA), eV:	-8.56(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-4-(3-methylphenyl)-2-(5-piperidin-4-yl-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene)imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CCNCC6)NN4)/N=C32

DOS

IR

Vibrations