Geometry & MOs

Info

ID:	155829
PubChem CID:	56367719
Reduced:	F2N3O4C18H19 (1)
Stoich.:	A2B3C4D18E19 (1)
Weight, g/mol:	489.162389
ΔH_f, kcal/mol:	-218.42
Dipole, Da:	7.2
IP(EA), eV:	-9.49(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCCC(=O)NCC2=CC=NC=C2)OC(F)F

DOS

IR

Vibrations