Geometry & MOs

Info

ID:	200883
PubChem CID:	79458057
Reduced:	BrNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	343.05718
ΔH_f, kcal/mol:	-160.67
Dipole, Da:	3.83
IP(EA), eV:	-9.58(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-methylphenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N(CCC(=O)OC)CCOC)Br

DOS

IR

Vibrations