Geometry & MOs

Info

ID:	390181
PubChem CID:	134997588
Reduced:	ClN3C23H34 (1)
Stoich.:	AB3C23D34 (1)
Weight, g/mol:	421.261694
ΔH_f, kcal/mol:	1.85
Dipole, Da:	1.89
IP(EA), eV:	-9.04(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-2-oxo-3-phenylmethoxytridec-3-en-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CCC(CC1)C(C)(C)C2=NC(=NC(=N2)Cl)C(C)(C)C3CCC(=CC3)C

DOS

IR

Vibrations