Geometry & MOs

Info

ID:	151651
PubChem CID:	56260982
Reduced:	OF4N6H14C20 (1)
Stoich.:	AB4C6D14E20 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-88.31
Dipole, Da:	2.28
IP(EA), eV:	-9.1(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=CC=CC(=C2)NC(=O)C3=C(N(N=N3)C4=CC(=CC=C4)F)C(F)(F)F

DOS

IR

Vibrations