Geometry & MOs

Info

ID:	143660
PubChem CID:	53245119
Reduced:	ON2C27H30 (1)
Stoich.:	AB2C27D30 (1)
Weight, g/mol:	324.059632
ΔH_f, kcal/mol:	13.02
Dipole, Da:	4.42
IP(EA), eV:	-8.84(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-8-fluoro-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine

Drug info:

PubChemData

Smile

C[C@H]1CN(CC[C@@]1(C)C2=CC=CC(=C2)C(=O)N)CC3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations