Geometry & MOs

Info

ID:	204874
PubChem CID:	80024649
Reduced:	NSC14H29 (1)
Stoich.:	ABC14D29 (1)
Weight, g/mol:	203.170771
ΔH_f, kcal/mol:	-42.03
Dipole, Da:	3.32
IP(EA), eV:	-8.53(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[methyl(pentan-2-yl)amino]pentane-1-thiol

Drug info:

PubChemData

Smile

CCC(CC)N(C)CC1(CCCCC1)CS

DOS

IR

Vibrations