Geometry & MOs

Info

ID:	125022
PubChem CID:	50907606
Reduced:	FON2H13C15 (2)
Stoich.:	ABC2D13E15 (2)
Weight, g/mol:	440.183503
ΔH_f, kcal/mol:	-44.88
Dipole, Da:	3.67
IP(EA), eV:	-8.8(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]-4-methoxy-3-phenylmethoxyphenyl]methanol

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C(C=C2F)F)N=C1C3=CC=CC=N3)NC4=C(N=CC(=C4)C5=CCOCC5)C6=CCOCC6

DOS

IR

Vibrations