Geometry & MOs

Info

ID:	48442
PubChem CID:	10584661
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	-170.28
Dipole, Da:	7.24
IP(EA), eV:	-10.6(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide

Drug info:

PubChemData

Smile

CC1(CCC(CC1)C(=O)CCC(=O)O)C

DOS

IR

Vibrations