Geometry & MOs

Info

ID:

398388

PubChem CID:

135033057

Reduced:

O3N4H38C44 (1)

Stoich.:

A3B4C38D44 (1)

Weight, g/mol:

238.19328

ΔHf, kcal/mol:

105.04

Dipole, Da:

2.97

IP(EA), eV:

 -9.11(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)/C(=C(\[C@H](COCC3=CC=CC=C3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)/[O-])/[N+]#N

DOS

IR

Vibrations