Geometry & MOs

Info

ID:	429511
PubChem CID:	135169560
Reduced:	O2N3F4H13C16 (1)
Stoich.:	A2B3C4D13E16 (1)
Weight, g/mol:	477.081551
ΔH_f, kcal/mol:	-215.25
Dipole, Da:	6.26
IP(EA), eV:	-9.58(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chloro-5-[[2-isoquinolin-4-yl-3-(trifluoromethyl)-1,5-dihydropyrazole-4-carbonyl]amino]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/N)/C(=NC1=C(C=C2C=CC=NC2=C1)F)C(F)(F)F

DOS

IR

Vibrations