Geometry & MOs

Info

ID:	244275
PubChem CID:	99319645
Reduced:	OSN3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	353.156184
ΔH_f, kcal/mol:	20.84
Dipole, Da:	1.54
IP(EA), eV:	-8.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@@H](C)NC(=O)C3=C(C=CS3)C(C)C

DOS

IR

Vibrations