Geometry & MOs

Info

ID:	166297
PubChem CID:	74666509
Reduced:	N5O5C23H37 (1)
Stoich.:	A5B5C23D37 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-236.41
Dipole, Da:	5.67
IP(EA), eV:	-9.31(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-[(4-cyanophenyl)methyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CCCN1C2C(C(CC(N2)C3CC3)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C)C(=O)NC1=O

DOS

IR

Vibrations