Geometry & MOs

Info

ID:	370119
PubChem CID:	127337490
Reduced:	ON6C18H28 (1)
Stoich.:	AB6C18D28 (1)
Weight, g/mol:	375.252192
ΔH_f, kcal/mol:	1.05
Dipole, Da:	8.6
IP(EA), eV:	-9.07(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-methylphenoxy)propan-2-yl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NCC(C)CN3C=CC=N3

DOS

IR

Vibrations