Geometry & MOs

Info

ID:	192203
PubChem CID:	78242784
Reduced:	O6C23H30 (1)
Stoich.:	A6B23C30 (1)
Weight, g/mol:	520.132048
ΔH_f, kcal/mol:	-239.68
Dipole, Da:	2.84
IP(EA), eV:	-8.75(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzoyl-6-(3,5-dichloro-2-methoxyphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Drug info:

PubChemData

Smile

CCCCOC(=O)OC1CCC2C(C1)OC=C(C2=O)OC3=CC=CC=C3C(C)C

DOS

IR

Vibrations