Geometry & MOs

Info

ID:	355974
PubChem CID:	127290964
Reduced:	ON5C18H31 (1)
Stoich.:	AB5C18D31 (1)
Weight, g/mol:	321.216475
ΔH_f, kcal/mol:	-29.77
Dipole, Da:	3.53
IP(EA), eV:	-8.59(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylpyrazol-4-yl)methyl]-N-(oxan-2-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1CNC(=O)N2CCN(CC2)CC3=CN(N=C3)C

DOS

IR

Vibrations