Geometry & MOs

Info

ID:	345642
PubChem CID:	127269942
Reduced:	N3O4C14H27 (1)
Stoich.:	A3B4C14D27 (1)
Weight, g/mol:	351.252192
ΔH_f, kcal/mol:	-185.93
Dipole, Da:	2.85
IP(EA), eV:	-9.23(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclohexylacetyl)-N-(oxan-3-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(CCO1)CCNC(=O)NCC2COCCO2)C

DOS

IR

Vibrations