Geometry & MOs

Info

ID:	245272
PubChem CID:	99443239
Reduced:	OSN6C28H28 (1)
Stoich.:	ABC6D28E28 (1)
Weight, g/mol:	365.190341
ΔH_f, kcal/mol:	75.82
Dipole, Da:	5.74
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CC4=C(N(N=C4C)C5=NC(=CC(=N5)C)C)C)C

DOS

IR

Vibrations