Geometry & MOs

Info

ID:	269945
PubChem CID:	103620793
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	37.61
Dipole, Da:	6.17
IP(EA), eV:	-9.49(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-cyanophenyl)methylamino]-N-cyclopropylbutanamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)CNCC2=CC=CC=C2C#N

DOS

IR

Vibrations