Geometry & MOs

Info

ID:	66133
PubChem CID:	46499918
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	366.01162
ΔH_f, kcal/mol:	-54.19
Dipole, Da:	8.9
IP(EA), eV:	-9.35(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(8-bromoquinolin-6-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)/C=C/2\C(=NOC2=O)C

DOS

IR

Vibrations