Geometry & MOs

Info

ID:	7121
PubChem CID:	71272
Reduced:	BrClON2C18H18 (1)
Stoich.:	ABCD2E18F18 (1)
Weight, g/mol:	392.0291
ΔH_f, kcal/mol:	23.06
Dipole, Da:	2.46
IP(EA), eV:	-8.32(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-5-(2-chlorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine

Drug info:

PubChemData

Smile

CN1C(CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl)COC

DOS

IR

Vibrations