Geometry & MOs

Info

ID:	52576
PubChem CID:	12015500
Reduced:	NOC32H37 (1)
Stoich.:	ABC32D37 (1)
Weight, g/mol:	451.287515
ΔH_f, kcal/mol:	5.45
Dipole, Da:	1.76
IP(EA), eV:	-8.7(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R)-2-[2-(1,5-diphenyl-1,3-dihydro-2-benzazepin-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]3C4=CC=CC=C4[C@H](CN3C2(C)C)C(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations