Geometry & MOs

Info

ID:	74672
PubChem CID:	48422272
Reduced:	BrNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	307.1606
ΔH_f, kcal/mol:	-64.77
Dipole, Da:	3.09
IP(EA), eV:	-9.6(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[2-(3,4-dimethylphenyl)sulfanylethyl]propanamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)Br)NC(=O)C(C)OCC2CC2

DOS

IR

Vibrations