Geometry & MOs

Info

ID:

187342

PubChem CID:

77561064

Reduced:

NO5C27H43 (1)

Stoich.:

AB5C27D43 (1)

Weight, g/mol:

588.304681

ΔHf, kcal/mol:

-248.67

Dipole, Da:

2.58

IP(EA), eV:

 -9.83(0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2-hydroxy-3-methoxy-2-methylpropoxy)-4-(4-methoxyphenyl)-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)OCCC#N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

DOS

IR

Vibrations