Geometry & MOs

Info

ID:	354467
PubChem CID:	127286911
Reduced:	O2N3C15H29 (1)
Stoich.:	A2B3C15D29 (1)
Weight, g/mol:	363.274659
ΔH_f, kcal/mol:	-123.52
Dipole, Da:	3.48
IP(EA), eV:	-8.53(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC(C1)CNC(=O)NCC2CCCCO2

DOS

IR

Vibrations