Geometry & MOs

Info

ID:	247791
PubChem CID:	103073265
Reduced:	NSC10H21 (1)
Stoich.:	ABC10D21 (1)
Weight, g/mol:	173.123821
ΔH_f, kcal/mol:	-12.12
Dipole, Da:	2.29
IP(EA), eV:	-8.68(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[ethyl(propan-2-yl)amino]methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CCC(C)N(CC)CC(=C)CS

DOS

IR

Vibrations