Geometry & MOs

Info

ID:	64849
PubChem CID:	29204090
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	305.173942
ΔH_f, kcal/mol:	-141.97
Dipole, Da:	3.67
IP(EA), eV:	-8.95(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)CCC(=O)NC2=C(C=CS2)C(=O)N)C

DOS

IR

Vibrations