Geometry & MOs

Info

ID:	120929
PubChem CID:	50750877
Reduced:	ON4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	446.177647
ΔH_f, kcal/mol:	6.86
Dipole, Da:	5.76
IP(EA), eV:	-7.9(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-methyl-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=CC(=C2)NC(=O)C)C(C3=CC=CC=N3)N4CCCCC4

DOS

IR

Vibrations