Geometry & MOs

Info

ID:	131869
PubChem CID:	51271861
Reduced:	SN3O3H17C20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	305.12949
ΔH_f, kcal/mol:	-46.83
Dipole, Da:	2.8
IP(EA), eV:	-9.15(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-N-(3-methylbutan-2-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC2=CC=CC=C2S1)OC(=O)CCN3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations