Geometry & MOs

Info

ID:	171892
PubChem CID:	75436964
Reduced:	Cl2N2O3C15H18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	-110.45
Dipole, Da:	5.69
IP(EA), eV:	-9.48(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-1,3-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCOC2C1CN(C2)C(=O)C(C3=CC(=CC(=C3)Cl)Cl)O

DOS

IR

Vibrations