Geometry & MOs

Info

ID:	60766
PubChem CID:	26701976
Reduced:	N3O5H15C17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-58.15
Dipole, Da:	8.77
IP(EA), eV:	-8.95(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-3-nitro-N-[(2R)-2-phenylbutyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C)[N+](=O)[O-]

DOS

IR

Vibrations