Geometry & MOs

Info

ID:	41056
PubChem CID:	8145185
Reduced:	N2O2C23H27 (1)
Stoich.:	A2B2C23D27 (1)
Weight, g/mol:	362.199428
ΔH_f, kcal/mol:	-3.67
Dipole, Da:	9.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.159920
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC4=CC=CC=C43)O

DOS

IR

Vibrations