Geometry & MOs

Info

ID:	41492
PubChem CID:	8145967
Reduced:	N2O4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-10.01
Dipole, Da:	4.05
IP(EA), eV:	-4.19(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-methoxy-4-prop-2-enylphenol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)CC=C

DOS

IR

Vibrations