Geometry & MOs

Info

ID:	187786
PubChem CID:	77622462
Reduced:	N3O3C8H13 (1)
Stoich.:	A3B3C8D13 (1)
Weight, g/mol:	396.12224
ΔH_f, kcal/mol:	-115.1
Dipole, Da:	4.57
IP(EA), eV:	-9.66(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-hydroxy-3-methoxyphenyl)-2-imidazol-1-ylbenzo[b][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

CCC1C(=NNC1=O)CCOC(=O)N

DOS

IR

Vibrations