Geometry & MOs

Info

ID:	243610
PubChem CID:	99233358
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-59.56
Dipole, Da:	7.55
IP(EA), eV:	-8.83(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3S)-3-methylpiperidin-1-yl]-3-nitrophenyl]-[(2R)-2-propan-2-ylpyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCC[C@@H]3C(C)C)[N+](=O)[O-]

DOS

IR

Vibrations