Geometry & MOs

Info

ID:

141818

PubChem CID:

52932647

Reduced:

ON8H34C36 (1)

Stoich.:

AB8C34D36 (1)

Weight, g/mol:

492.298808

ΔHf, kcal/mol:

135.66

Dipole, Da:

3.15

IP(EA), eV:

 -8.12(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[4-[2-[(1S,2S,3R,5S)-2,3-dihydroxy-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethoxy]phenyl]methanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=C(N=C5N4C=CC=C5)C6=CC(=CC=C6)NC(=O)C7=CC=CC=C7

DOS

IR

Vibrations