Geometry & MOs

Info

ID:	29670
PubChem CID:	836346
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	-97.19
Dipole, Da:	5.0
IP(EA), eV:	-9.61(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-N-(pyridin-3-ylmethyl)butanamide

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)CNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations