Geometry & MOs

Info

ID:	233414
PubChem CID:	90271440
Reduced:	NO6C32H39 (1)
Stoich.:	AB6C32D39 (1)
Weight, g/mol:	473.196408
ΔH_f, kcal/mol:	-170.09
Dipole, Da:	6.9
IP(EA), eV:	-8.58(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-(4-pyridin-3-ylbenzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCCCCCCCCCCOC1=C(C=C(C=C1)/C(=C\C2=CC3=C(C=C2)OCO3)/C#N)OC

DOS

IR

Vibrations