Geometry & MOs

Info

ID:	370102
PubChem CID:	127337434
Reduced:	NOC7H11 (3)
Stoich.:	ABC7D11 (3)
Weight, g/mol:	381.181919
ΔH_f, kcal/mol:	-126.35
Dipole, Da:	2.34
IP(EA), eV:	-9.01(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-chlorophenoxy)ethyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCCNC(=O)N2CCN(CC2)CC3CCOCC3

DOS

IR

Vibrations