Geometry & MOs

Info

ID:	371778
PubChem CID:	131271614
Reduced:	BrN2O4H7C8 (1)
Stoich.:	AB2C4D7E8 (1)
Weight, g/mol:	202.110613
ΔH_f, kcal/mol:	-72.91
Dipole, Da:	6.71
IP(EA), eV:	-9.53(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1CC(=O)O)N)[N+](=O)[O-])Br

DOS

IR

Vibrations