Geometry & MOs

Info

ID:	163585
PubChem CID:	58047646
Reduced:	N2C9H12 (1)
Stoich.:	A2B9C12 (1)
Weight, g/mol:	635.121954
ΔH_f, kcal/mol:	27.81
Dipole, Da:	1.4
IP(EA), eV:	-8.32(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(3-chloropyridin-2-yl)-5-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazol-3-yl]-2-oxoethyl]-5-cyano-3-methyl-N-(oxetan-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1C2=C(C=C(C=C2)C)NN1

DOS

IR

Vibrations