Geometry & MOs

Info

ID:

421593

PubChem CID:

135116277

Reduced:

N6O9C37H48 (1)

Stoich.:

A6B9C37D48 (1)

Weight, g/mol:

320.173607

ΔHf, kcal/mol:

-351.13

Dipole, Da:

7.26

IP(EA), eV:

 -9.16(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,3-dimethoxyphenyl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C3=C4C(=CC=C3)OCCO4)CC5=CC=CC=C5)[C@@H](C)O

DOS

IR

Vibrations