Geometry & MOs

Info

ID:	355950
PubChem CID:	127290940
Reduced:	O2N3C15H29 (1)
Stoich.:	A2B3C15D29 (1)
Weight, g/mol:	323.19574
ΔH_f, kcal/mol:	-121.87
Dipole, Da:	2.45
IP(EA), eV:	-8.68(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC(=O)NC1CCCOC1)CN2CCCCC2

DOS

IR

Vibrations