Geometry & MOs

Info

ID:	400090
PubChem CID:	135045262
Reduced:	N2O3C11H22 (1)
Stoich.:	A2B3C11D22 (1)
Weight, g/mol:	240.126263
ΔH_f, kcal/mol:	-178.47
Dipole, Da:	2.69
IP(EA), eV:	-9.6(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4S)-4-(1H-imidazol-5-yl)-6-phenylhex-5-en-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CCCCC(=O)N

DOS

IR

Vibrations