Geometry & MOs

Info

ID:	429924
PubChem CID:	135169979
Reduced:	O4C19H38 (1)
Stoich.:	A4B19C38 (1)
Weight, g/mol:	542.119334
ΔH_f, kcal/mol:	-251.9
Dipole, Da:	2.65
IP(EA), eV:	-9.68(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]-1-[1-(2-hydroxypropan-2-yl)isoquinolin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(COC)OC(C)(C)C(=O)OC(C)(C)C(C)(C)C

DOS

IR

Vibrations