Geometry & MOs

Info

ID:	139928
PubChem CID:	52619176
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	-65.47
Dipole, Da:	7.13
IP(EA), eV:	-8.63(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-3-nitrophenoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OCC(=O)N(C)CC2=CC3=C(C=C2)C=C(C=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations