Geometry & MOs

Info

ID:	355947
PubChem CID:	127290937
Reduced:	N3O3C17H31 (1)
Stoich.:	A3B3C17D31 (1)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	-177.21
Dipole, Da:	2.88
IP(EA), eV:	-9.43(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)C(=O)N1CCC(CC1)NC(=O)NC2CCCOC2

DOS

IR

Vibrations