Geometry & MOs

Info

ID:	140017
PubChem CID:	52631143
Reduced:	FO3N4C22H34 (1)
Stoich.:	AB3C4D22E34 (1)
Weight, g/mol:	341.199094
ΔH_f, kcal/mol:	-153.13
Dipole, Da:	4.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753385
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-butoxyphenyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CCN(CC(C)C)C(=O)CN1C(=O)[C@](NC1=O)(C)C2=CC=C(C=C2)F

DOS

IR

Vibrations