Geometry & MOs

Info

ID:	43409
PubChem CID:	10321249
Reduced:	O2N4C27H32 (1)
Stoich.:	A2B4C27D32 (1)
Weight, g/mol:	444.187149
ΔH_f, kcal/mol:	8.14
Dipole, Da:	4.5
IP(EA), eV:	-8.83(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R)-3-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]-6,7,8,9-tetrahydrobenzo[e]indol-8-amine

Drug info:

PubChemData

Smile

CCCC1=C(C(=O)N(N1CCN2CCOCC2)C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

DOS

IR

Vibrations