Geometry & MOs

Info

ID:	427910
PubChem CID:	135165470
Reduced:	NOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	226.168128
ΔH_f, kcal/mol:	-47.23
Dipole, Da:	2.14
IP(EA), eV:	-8.7(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]-N-methylacetamide

Drug info:

PubChemData

Smile

CCN(CC)CC(=C)C(=O)C(C)C

DOS

IR

Vibrations