Geometry & MOs

Info

ID:	69935
PubChem CID:	47205806
Reduced:	N3O3C13H23 (1)
Stoich.:	A3B3C13D23 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-168.0
Dipole, Da:	5.99
IP(EA), eV:	-9.39(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-cyanophenyl)methylamino]-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NCC(=O)NC1CCN(CC1)C(=O)C

DOS

IR

Vibrations