Geometry & MOs

Info

ID:	60769
PubChem CID:	26701981
Reduced:	N2O5C20H22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	370.152872
ΔH_f, kcal/mol:	-88.43
Dipole, Da:	7.73
IP(EA), eV:	-8.82(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxy-3-nitrophenyl)-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

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