Geometry & MOs

Info

ID:	161126
PubChem CID:	57390838
Reduced:	N2O7C31H40 (1)
Stoich.:	A2B7C31D40 (1)
Weight, g/mol:	516.283552
ΔH_f, kcal/mol:	-261.5
Dipole, Da:	3.57
IP(EA), eV:	-8.73(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-[(3S,5R)-3,5-dimethoxycyclohexyl]oxyethyl]piperidin-3-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

Drug info:

PubChemData

Smile

CC1CC(=O)N(C1=O)C2=CC=CC=C2C(=O)OCC3CCCN(C3)CCCCCOC4=CC=CC(=C4OC)OC

DOS

IR

Vibrations