Geometry & MOs

Info

ID:

427900

PubChem CID:

135165282

Reduced:

ClO3N8C40H51 (1)

Stoich.:

AB3C8D40E51 (1)

Weight, g/mol:

361.144471

ΔHf, kcal/mol:

-77.1

Dipole, Da:

5.88

IP(EA), eV:

 -8.61(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,6R,8S)-4-[(1R)-2-(1-benzofuran-3-yl)-1-chloroethyl]-2,9,9-trimethyl-3,5-dioxa-4-azatricyclo[6.1.1.02,6]decane

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=NC3=C(N2C)CCN(C3)CC(C)O)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCN(C6)C7CCC(CC7)(C)C)Cl

DOS

IR

Vibrations