Geometry & MOs

Info

ID:	327317
PubChem CID:	126689510
Reduced:	ON3C23H43 (1)
Stoich.:	AB3C23D43 (1)
Weight, g/mol:	555.189352
ΔH_f, kcal/mol:	-108.42
Dipole, Da:	3.84
IP(EA), eV:	-8.79(1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[5-(cyclopropylmethoxy-hydroxy-pyridin-3-ylmethyl)-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1CC(CC(C1)(C)C)O)NC(=NC2CCCCC2)NC3CCCCC3

DOS

IR

Vibrations