Geometry & MOs

Info

ID:	311002
PubChem CID:	126588769
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	175.103085
ΔH_f, kcal/mol:	-62.71
Dipole, Da:	4.28
IP(EA), eV:	-8.61(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4,5-dimethyl-1-sulfanylhexan-3-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2N(C)C(=O)NC)C)C

DOS

IR

Vibrations