Geometry & MOs

Info

ID:	251187
PubChem CID:	103102054
Reduced:	SN2C11H20 (1)
Stoich.:	AB2C11D20 (1)
Weight, g/mol:	220.193949
ΔH_f, kcal/mol:	8.16
Dipole, Da:	0.87
IP(EA), eV:	-8.53(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N'-[3-(2-methylphenyl)propyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CN(CC)CCN

DOS

IR

Vibrations