Geometry & MOs

Info

ID:	125903
PubChem CID:	50943275
Reduced:	ON5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	69.89
Dipole, Da:	6.64
IP(EA), eV:	-8.56(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3,3,5-trimethyl-7-phenylmethoxy-1,5-benzodiazepine-2,4-dione

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)NC2=NNC3=C2C=CC(=C3)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations