Geometry & MOs

Info

ID:	14663
PubChem CID:	417114
Reduced:	N2O5C26H30 (1)
Stoich.:	A2B5C26D30 (1)
Weight, g/mol:	450.215472
ΔH_f, kcal/mol:	-124.94
Dipole, Da:	2.34
IP(EA), eV:	-8.42(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[(2-hydroxy-3-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]methyl]-6-methoxyphenol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1O)CN2CCCN(C2C3=CC=CC=C3O)CC4=C(C(=CC=C4)OC)O

DOS

IR

Vibrations