Geometry & MOs

Info

ID:	206411
PubChem CID:	80247427
Reduced:	NOSC11H17 (1)
Stoich.:	ABCD11E17 (1)
Weight, g/mol:	226.15037
ΔH_f, kcal/mol:	-30.89
Dipole, Da:	2.45
IP(EA), eV:	-8.67(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-ethylthiophen-2-yl)methyl]-N'-propan-2-ylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CSC=C1CN2CCC(C2)CO

DOS

IR

Vibrations