Geometry & MOs

Info

ID:	449499
PubChem CID:	135299093
Reduced:	N7H23C24 (1)
Stoich.:	A7B23C24 (1)
Weight, g/mol:	509.196408
ΔH_f, kcal/mol:	180.59
Dipole, Da:	8.24
IP(EA), eV:	-8.52(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-4-(3-methylphenyl)-2-[5-(5-phenylmethoxypyridin-3-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)C6CCNCC6)NN4)/N=C32

DOS

IR

Vibrations