Geometry & MOs

Info

ID:	447173
PubChem CID:	135280939
Reduced:	NC24H33 (1)
Stoich.:	AB24C33 (1)
Weight, g/mol:	191.170771
ΔH_f, kcal/mol:	35.13
Dipole, Da:	1.69
IP(EA), eV:	-8.56(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(ethyl-methyl-propan-2-yl-lambda4-sulfanyl)-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

CCC(C)C(C)C1=CCC(C=C1)(C)C(=C)CN=C(C)C2=CC=CC=C2

DOS

IR

Vibrations