Geometry & MOs

Info

ID:

433389

PubChem CID:

135173526

Reduced:

O6N7H37C40 (1)

Stoich.:

A6B7C37D40 (1)

Weight, g/mol:

339.240959

ΔHf, kcal/mol:

-66.29

Dipole, Da:

8.53

IP(EA), eV:

 -8.79(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(5-methoxypentoxymethyl)-1-bicyclo[1.1.1]pentanyl]-(3-propan-2-yloxyazetidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(C)CCOC2=CC=C(C=C2)N3C=C(C(=N3)C4=CC=NC=C4)C5=CC6=C(C=C5)/C(=N/O)/CC6)C(=O)N(C=O)C7CCC(=O)NC7=O

DOS

IR

Vibrations