Geometry & MOs

Info

ID:	446021
PubChem CID:	135271619
Reduced:	N5O6C27H27 (1)
Stoich.:	A5B6C27D27 (1)
Weight, g/mol:	378.134142
ΔH_f, kcal/mol:	-147.05
Dipole, Da:	4.98
IP(EA), eV:	-8.96(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[5-(4H-pyrazol-4-yl)-1,2-dihydroindazol-3-ylidene]-4-pyridin-3-ylimidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2O1)N3C=NC4=C(N=CN=C43)NCC5=CC=C(C=C5)OC(=O)C6=CC=CC=C6)CO)C

DOS

IR

Vibrations