Geometry & MOs

Info

ID:	402067
PubChem CID:	135054138
Reduced:	NO3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	-74.01
Dipole, Da:	3.84
IP(EA), eV:	-9.49(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-phenylhex-5-en-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CC(=C[C@@H]([C@@H]1C=O)NC(=O)OCC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations