Geometry & MOs

Info

ID:	419383
PubChem CID:	135108070
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	379.166269
ΔH_f, kcal/mol:	-113.22
Dipole, Da:	3.87
IP(EA), eV:	-8.86(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorobenzoyl)piperidin-4-yl]-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN([C@H]1COC[C@@H]1O)C(=O)C2=CC=C(C=C2)CN3CCCCCC3

DOS

IR

Vibrations