Geometry & MOs

Info

ID:	69904
PubChem CID:	47205732
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	346.01782
ΔH_f, kcal/mol:	-85.09
Dipole, Da:	6.41
IP(EA), eV:	-8.57(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-iodoanilino)-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NCC(=O)NC1=CC=C(C=C1)OCC#N

DOS

IR

Vibrations