Geometry & MOs

Info

ID:	394694
PubChem CID:	135023550
Reduced:	IO2C20H23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	-6.52
Dipole, Da:	2.26
IP(EA), eV:	-9.3(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC(CCC1CCC2(C=C1C3=CC=C(C=C3)I)OCCO2)C#C

DOS

IR

Vibrations