Geometry & MOs

Info

ID:	60770
PubChem CID:	26701982
Reduced:	N2O5C20H22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-87.77
Dipole, Da:	5.16
IP(EA), eV:	-8.68(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-methyl-3-nitro-N-[(1R)-1-phenylethyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)N2CCC[C@H]2C3=CC=C(C=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations