Geometry & MOs

Info

ID:	125904
PubChem CID:	50943296
Reduced:	N2O3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-92.4
Dipole, Da:	7.01
IP(EA), eV:	-8.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-diethyl-5-methyl-7-phenylmethoxy-1H-1,5-benzodiazepine-2,4-dione

Drug info:

PubChemData

Smile

CCCCN1C2=C(C=C(C=C2)OCC3=CC=CC=C3)N(C(=O)C(C1=O)(C)C)C

DOS

IR

Vibrations