Geometry & MOs

Info

ID:	406950
PubChem CID:	135078967
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	215.094629
ΔH_f, kcal/mol:	-73.89
Dipole, Da:	6.46
IP(EA), eV:	-8.28(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(2-oxoethyl)but-2-ynamide

Drug info:

PubChemData

Smile

CCC1=C2C(=CC(=C1)OC)C(=CN2CCC=O)C=O

DOS

IR

Vibrations