Geometry & MOs

Info

ID:	183852
PubChem CID:	77081426
Reduced:	FON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	379.110296
ΔH_f, kcal/mol:	-10.69
Dipole, Da:	1.49
IP(EA), eV:	-8.94(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)CN2CC(C2)OC3=CC=CC=C3F

DOS

IR

Vibrations