Geometry & MOs

Info

ID:	321390
PubChem CID:	126665944
Reduced:	NO5C8H11 (1)
Stoich.:	AB5C8D11 (1)
Weight, g/mol:	608.252287
ΔH_f, kcal/mol:	-151.34
Dipole, Da:	4.26
IP(EA), eV:	-10.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(propanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COCC1=NOC(=C1C(=O)OC)CO

DOS

IR

Vibrations