Geometry & MOs

Info

ID:	29577
PubChem CID:	835417
Reduced:	NSC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	241.110279
ΔH_f, kcal/mol:	36.54
Dipole, Da:	4.29
IP(EA), eV:	-8.47(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-(2-methylphenyl)benzamide

Drug info:

PubChemData

Smile

C=C1CCCC[C@H]1C(=S)NC2=CC=CC=C2

DOS

IR

Vibrations