Geometry & MOs

Info

ID:

144917

PubChem CID:

53431647

Reduced:

O2N4C12H17 (1)

Stoich.:

A2B4C12D17 (1)

Weight, g/mol:

463.199488

ΔHf, kcal/mol:

-23.26

Dipole, Da:

2.44

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.828856

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[(2-benzhydrylphenoxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=NN=C(N)N)CC1=CC=CC=C1.CC(=O)[O-]

DOS

IR

Vibrations