Geometry & MOs

Info

ID:	45693
PubChem CID:	10516548
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	276.074621
ΔH_f, kcal/mol:	-91.43
Dipole, Da:	3.04
IP(EA), eV:	-9.03(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-6,8-dimethyl-7-nitro-1H-1-benzazepine-2,5-dione

Drug info:

PubChemData

Smile

C1C[C@]2(CN(CC[C@H]2C[C@@H]1O)CC3=CC=CC=C3)CO

DOS

IR

Vibrations