Geometry & MOs

Info

ID:	438978
PubChem CID:	135228739
Reduced:	N3O5C28H35 (1)
Stoich.:	A3B5C28D35 (1)
Weight, g/mol:	364.143961
ΔH_f, kcal/mol:	-127.18
Dipole, Da:	8.01
IP(EA), eV:	-8.46(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-phosphanyloxybutyl]-2-methoxyphenol

Drug info:

PubChemData

Smile

CCOCC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)/C(=C/N)/C=NC4COC4)C(C)(C)C

DOS

IR

Vibrations