Geometry & MOs

Info

ID:	270722
PubChem CID:	103637832
Reduced:	SN4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	274.15037
ΔH_f, kcal/mol:	85.06
Dipole, Da:	3.19
IP(EA), eV:	-8.6(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzothiophen-3-ylmethyl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCNCC1=CSC(=N1)C2=CC=CC=N2)C3CC3

DOS

IR

Vibrations