Geometry & MOs

Info

ID:	64850
PubChem CID:	29204091
Reduced:	N3O3C16H23 (1)
Stoich.:	A3B3C16D23 (1)
Weight, g/mol:	305.173942
ΔH_f, kcal/mol:	-50.03
Dipole, Da:	8.77
IP(EA), eV:	-8.89(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)-5-nitrophenyl]-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N(C)C)C

DOS

IR

Vibrations