Geometry & MOs

Info

ID:	193637
PubChem CID:	78416581
Reduced:	Br2N2O3H16C23 (1)
Stoich.:	A2B2C3D16E23 (1)
Weight, g/mol:	383.140055
ΔH_f, kcal/mol:	30.3
Dipole, Da:	2.75
IP(EA), eV:	-9.23(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-[(2-chlorophenyl)methyl]-6-oxocyclohexa-2,4-dien-1-ylidene]methylamino]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C(=CC=C3C=CC(=O)C=C3)N=C4C(C2=O)C=C(C=C4Br)Br

DOS

IR

Vibrations