Geometry & MOs

Info

ID:	153599
PubChem CID:	56312857
Reduced:	FO2N5H18C23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	473.20386
ΔH_f, kcal/mol:	23.89
Dipole, Da:	4.29
IP(EA), eV:	-8.59(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations