Geometry & MOs

Info

ID:	444906
PubChem CID:	135263908
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	329.04153
ΔH_f, kcal/mol:	-13.36
Dipole, Da:	7.8
IP(EA), eV:	-9.13(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@H](C3=CC4=C(CCNC4)C=C3)[C@H](C)C(=O)O)C)N=N1

DOS

IR

Vibrations