Geometry & MOs

Info

ID:	135367
PubChem CID:	51861087
Reduced:	BrClSN2O3H14C19 (1)
Stoich.:	ABCD2E3F14G19 (1)
Weight, g/mol:	168.040916
ΔH_f, kcal/mol:	-27.3
Dipole, Da:	5.43
IP(EA), eV:	-9.19(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-carbamoyl-1-methylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1[C@H](OC2=CC=CC=C2O1)C(=O)NC3=NC=C(S3)CC4=CC(=C(C=C4)Br)Cl

DOS

IR

Vibrations