Geometry & MOs

Info

ID:

422170

PubChem CID:

135117330

Reduced:

O6N7C35H45 (1)

Stoich.:

A6B7C35D45 (1)

Weight, g/mol:

308.184841

ΔHf, kcal/mol:

-196.12

Dipole, Da:

6.24

IP(EA), eV:

 -9.22(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1S,5S)-9-[(1,5-dimethylpyrazol-4-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC3=CN(CCCO2)N=N3)CC4=CC=CC=C4)[C@@H](C)O)C5CCCCC5

DOS

IR

Vibrations