Geometry & MOs

Info

ID:	370111
PubChem CID:	127337477
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	353.267842
ΔH_f, kcal/mol:	-87.67
Dipole, Da:	6.3
IP(EA), eV:	-8.66(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclohexyloxyethyl)-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC(CC)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations