Geometry & MOs

Info

ID:	302579
PubChem CID:	124385163
Reduced:	ClNO2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-65.75
Dipole, Da:	3.09
IP(EA), eV:	-8.78(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-9-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)[C@@H](C2=CC=C(C=C2)Cl)O)N)CCO

DOS

IR

Vibrations