Geometry & MOs

Info

ID:	132266
PubChem CID:	51332338
Reduced:	SN2O4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	249.115364
ΔH_f, kcal/mol:	-124.75
Dipole, Da:	2.53
IP(EA), eV:	-9.19(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(3-phenylprop-2-ynyl)benzamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)C(=O)C2=CC=C(C=C2)O)NC(=O)C3=CC=CS3

DOS

IR

Vibrations