Geometry & MOs

Info

ID:	266688
PubChem CID:	103579099
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	14.24
Dipole, Da:	4.82
IP(EA), eV:	-9.98(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-pent-1-yn-3-yl-2-phenylpropanamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CN=C(C=C1)C

DOS

IR

Vibrations