Geometry & MOs

Info

ID:	220435
PubChem CID:	85195322
Reduced:	OC4H6 (3)
Stoich.:	AB4C6 (3)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	-81.37
Dipole, Da:	0.73
IP(EA), eV:	-8.87(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(COC2C=CCCC2C(=O)OC1)C

DOS

IR

Vibrations