Geometry & MOs

Info

ID:	218197
PubChem CID:	85089018
Reduced:	N2O2C12H17 (2)
Stoich.:	A2B2C12D17 (2)
Weight, g/mol:	438.2341
ΔH_f, kcal/mol:	-160.39
Dipole, Da:	5.18
IP(EA), eV:	-8.74(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-N-propyl-6,7,8,9-tetrahydrobenzo[e]indol-8-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2C(C1)C(NN2)C3=CC4=CC=CC=C4N3C(=O)OC(C)(C)C

DOS

IR

Vibrations