Geometry & MOs

Info

ID:	367672
PubChem CID:	127325215
Reduced:	N2O2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-84.1
Dipole, Da:	2.03
IP(EA), eV:	-9.41(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,5-dimethylpyrrolidin-1-yl)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

C1CC1NC(=O)C(=O)N2CC3CC4CC(C3)CC2C4

DOS

IR

Vibrations