Geometry & MOs

Info

ID:	29671
PubChem CID:	836347
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	-2.11
Dipole, Da:	5.11
IP(EA), eV:	-9.38(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-N-(2-phenylethyl)butanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCC(=O)NCC2=CN=CC=C2

DOS

IR

Vibrations