Geometry & MOs

Info

ID:	370101
PubChem CID:	127337417
Reduced:	ON5C23H33 (1)
Stoich.:	AB5C23D33 (1)
Weight, g/mol:	375.252192
ΔH_f, kcal/mol:	-12.74
Dipole, Da:	4.33
IP(EA), eV:	-8.86(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-dimethylphenoxy)ethyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC3CCCN(C3)CC4=CC=CC=C4

DOS

IR

Vibrations