Geometry & MOs

Info

ID:	381364
PubChem CID:	134972081
Reduced:	PN2O6H39C40 (1)
Stoich.:	AB2C6D39E40 (1)
Weight, g/mol:	360.157288
ΔH_f, kcal/mol:	-140.39
Dipole, Da:	3.24
IP(EA), eV:	-8.93(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(hydroxymethyl)-5-methoxyphenyl]-[2-(2-methoxyethoxymethoxymethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1C(OP(N1C(=O)OC(C)C)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C(=O)C6=CC=CC=C6

DOS

IR

Vibrations