Geometry & MOs

Info

ID:	130412
PubChem CID:	51075857
Reduced:	N2O4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	213.115364
ΔH_f, kcal/mol:	-111.86
Dipole, Da:	2.97
IP(EA), eV:	-8.82(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(3-phenylprop-2-ynyl)but-2-enamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=CN3C)C(=O)C

DOS

IR

Vibrations