Geometry & MOs

Info

ID:	148172
PubChem CID:	53787834
Reduced:	ClS2N3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	338.94049
ΔH_f, kcal/mol:	72.17
Dipole, Da:	3.49
IP(EA), eV:	-8.48(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dibromo-5-methylpyrazol-3-yl)-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1(C(N(C2=C1C=C(C=C2)Cl)[C@H]3NCCS3)C=CC4=NC5=CC=CC=C5S4)C

DOS

IR

Vibrations