Geometry & MOs

Info

ID:	22938
PubChem CID:	600077
Reduced:	BrClON4H24C26 (1)
Stoich.:	ABCD4E24F26 (1)
Weight, g/mol:	522.0822
ΔH_f, kcal/mol:	52.5
Dipole, Da:	4.83
IP(EA), eV:	-8.01(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-5-(2-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,3-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)C3C(=O)NC4=C(C=C(C=C4)Br)C(=N3)C5=CC=CC=C5Cl

DOS

IR

Vibrations