Geometry & MOs

Info

ID:	392753
PubChem CID:	135017845
Reduced:	O2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	290.115424
ΔH_f, kcal/mol:	13.25
Dipole, Da:	10.48
IP(EA), eV:	-9.26(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,4-bis(hydroxymethyl)-6-methoxyphenyl]-5-methoxyphenol

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C1C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)C)C

DOS

IR

Vibrations