Geometry & MOs

Info

ID:	25434
PubChem CID:	624966
Reduced:	O3H14C21 (1)
Stoich.:	A3B14C21 (1)
Weight, g/mol:	318.032668
ΔH_f, kcal/mol:	-25.12
Dipole, Da:	3.0
IP(EA), eV:	-8.88(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-(2-chlorophenyl)-2-methoxy-3H-1,4-benzodiazepine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=C3C(=CC=C2)C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations