Geometry & MOs

Info

ID:	282292
PubChem CID:	103921676
Reduced:	NOC18H31 (1)
Stoich.:	ABC18D31 (1)
Weight, g/mol:	203.170771
ΔH_f, kcal/mol:	-72.38
Dipole, Da:	3.03
IP(EA), eV:	-8.91(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-2-methylsulfanylpropyl)hexan-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)CC(C1=CC=CC=C1)NCC(C)(C)CCO

DOS

IR

Vibrations