Geometry & MOs

Info

ID:	370109
PubChem CID:	127337475
Reduced:	O3N4C20H36 (1)
Stoich.:	A3B4C20D36 (1)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	-171.56
Dipole, Da:	2.34
IP(EA), eV:	-8.87(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methylphenoxy)ethyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CCNC(=O)N2CCN(CC2)CC3CCOCC3

DOS

IR

Vibrations