Geometry & MOs

Info

ID:

441770

PubChem CID:

135244166

Reduced:

O2N3C32H41 (1)

Stoich.:

A2B3C32D41 (1)

Weight, g/mol:

491.314792

ΔHf, kcal/mol:

-30.56

Dipole, Da:

7.59

IP(EA), eV:

 -8.56(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-amino-2-hydroxypropyl)-2-[(4-hydroxyphenyl)methyl]-6-methyl-3-azatricyclo[5.3.2.01,6]dodecan-8-yl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C/C(=C\C1=C(CC2C34C1(CCN2C[C@@H]5CCNC5)C6[C@H](C3)CN(C6CC4)C(=O)C7=CC=CC=C7)C=C)/O

DOS

IR

Vibrations