Geometry & MOs

Info

ID:	418294
PubChem CID:	135104084
Reduced:	O2N3F4C16H17 (1)
Stoich.:	A2B3C4D16E17 (1)
Weight, g/mol:	385.118416
ΔH_f, kcal/mol:	-241.13
Dipole, Da:	5.01
IP(EA), eV:	-9.46(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)thieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(C)NC(=O)C2=CC=CC=C2OC(C(F)F)(F)F

DOS

IR

Vibrations