Geometry & MOs

Info

ID:	218278
PubChem CID:	85089120
Reduced:	N2O3C28H32 (1)
Stoich.:	A2B3C28D32 (1)
Weight, g/mol:	444.187149
ΔH_f, kcal/mol:	-81.38
Dipole, Da:	2.83
IP(EA), eV:	-8.97(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2COCC4=CC=CC=C4)N)C)O

DOS

IR

Vibrations