Geometry & MOs

Info

ID:	10270
PubChem CID:	99581
Reduced:	NO5C24H31 (1)
Stoich.:	AB5C24D31 (1)
Weight, g/mol:	413.220223
ΔH_f, kcal/mol:	-142.11
Dipole, Da:	4.4
IP(EA), eV:	-8.38(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-hydroxyethyl-[(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]amino]methyl]-6-methoxy-4-prop-2-enylphenol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)CN(CCO)CC2=C(C(=CC(=C2)CC=C)OC)O)CC=C

DOS

IR

Vibrations