Geometry & MOs

Info

ID:

187111

PubChem CID:

77530900

Reduced:

ClON7C25H31 (1)

Stoich.:

ABC7D25E31 (1)

Weight, g/mol:

507.113188

ΔHf, kcal/mol:

76.28

Dipole, Da:

5.31

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.628421

Charge, e:

 0

Chem-info

IUPAC name:

pyrazolo[1,5-a]pyridin-3-yl N-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)NCC2CCN(CC2)C)NC3=NC4=CC5=C(CCC(=C5)Cl)[N+](=O)CC4C=N3

DOS

IR

Vibrations