Geometry & MOs

Info

ID:

81581

PubChem CID:

49854886

Reduced:

NO2C11H15 (2)

Stoich.:

AB2C11D15 (2)

Weight, g/mol:

414.215472

ΔHf, kcal/mol:

-115.62

Dipole, Da:

4.03

IP(EA), eV:

 -8.57(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(4R,4aS,7S,7aR)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1C[C@]2([C@H]3CC4=C5C2(CCN3CC6CC6)[C@H]([C@H]1NCCO)OC5=C(C=C4)O)O

DOS

IR

Vibrations