Geometry & MOs

Info

ID:	29573
PubChem CID:	835389
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-88.89
Dipole, Da:	4.66
IP(EA), eV:	-9.23(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-ethylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations