Geometry & MOs

Info

ID:	1767
PubChem CID:	5016
Reduced:	BrNO2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	373.06774
ΔH_f, kcal/mol:	-19.79
Dipole, Da:	2.05
IP(EA), eV:	-8.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-bromo-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

Drug info:

PubChemData

Smile

C=CCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)Br

DOS

IR

Vibrations