Geometry & MOs

Info

ID:	190497
PubChem CID:	78011882
Reduced:	OSN4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	437.147488
ΔH_f, kcal/mol:	38.36
Dipole, Da:	4.34
IP(EA), eV:	-9.17(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-morpholin-2-ylcyclohexa-1,5-dien-1-yl)-1-[6-(trifluoromethyl)pyridin-3-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC2NC3CC(CCC3C(=O)N2C1)C#CC4=NC5=C(S4)N=CC=C5)C

DOS

IR

Vibrations