Geometry & MOs

Info

ID:	85054
PubChem CID:	49871490
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	440.246378
ΔH_f, kcal/mol:	-73.7
Dipole, Da:	4.48
IP(EA), eV:	-8.94(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5,7,7,10,10-pentamethyl-9,13-dihydro-8H-naphtho[2,3-b][1,4]benzodiazepin-12-yl)benzoic acid

Drug info:

PubChemData

Smile

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations