Geometry & MOs

Info

ID:	448951
PubChem CID:	135294690
Reduced:	NO5C28H45 (1)
Stoich.:	AB5C28D45 (1)
Weight, g/mol:	362.04523
ΔH_f, kcal/mol:	-215.85
Dipole, Da:	3.03
IP(EA), eV:	-8.88(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-2-(4-methylphenyl)sulfanyl-1,3,4,5-tetrahydro-2-benzazepin-5-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1N=O)C(C)(C)C)CCC(=O)OCCCCCCCCCCOC=O

DOS

IR

Vibrations