Geometry & MOs

Info

ID:	429501
PubChem CID:	135169550
Reduced:	ON2F7C8H9 (1)
Stoich.:	AB2C7D8E9 (1)
Weight, g/mol:	440.122688
ΔH_f, kcal/mol:	-374.96
Dipole, Da:	1.59
IP(EA), eV:	-9.73(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2E,4Z)-4-chloro-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1/C(=C\F)/N(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations