Geometry & MOs

Info

ID:	41158
PubChem CID:	8145379
Reduced:	N2O3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-44.93
Dipole, Da:	4.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.100943
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxy-4-prop-2-enylphenol

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C(=CC(=C3)CC=C)OC)O

DOS

IR

Vibrations