Geometry & MOs

Info

ID:	38479
PubChem CID:	8127739
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	-46.28
Dipole, Da:	4.58
IP(EA), eV:	-8.64(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]phenol

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)OCC=C)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

DOS

IR

Vibrations