Geometry & MOs

Info

ID:	243113
PubChem CID:	99215698
Reduced:	O3N5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	379.096618
ΔH_f, kcal/mol:	-43.85
Dipole, Da:	3.4
IP(EA), eV:	-8.67(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethylthiophen-2-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)N2C=C(N=N2)C(=O)N)NC(=O)C[C@H]3CCCC4=C3C=CC(=C4)OC

DOS

IR

Vibrations