Geometry & MOs

Info

ID:	186855
PubChem CID:	77494399
Reduced:	ClFN4O4C27H34 (1)
Stoich.:	ABC4D4E27F34 (1)
Weight, g/mol:	445.21139
ΔH_f, kcal/mol:	-239.64
Dipole, Da:	2.64
IP(EA), eV:	-9.39(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(ethylamino)propyl]-2-[3-(2-methoxypyridin-3-yl)-6-oxocyclohexa-2,4-dien-1-ylidene]-3,5-dihydrobenzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CN4C5CCC(CC5C(=O)NC4=O)Cl)F

DOS

IR

Vibrations