Geometry & MOs

Info

ID:	152966
PubChem CID:	56312069
Reduced:	BrSO3N4C20H21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	453.201219
ΔH_f, kcal/mol:	1.09
Dipole, Da:	1.2
IP(EA), eV:	-8.65(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[4-(4-methoxycarbonylphenyl)-2-methylpiperazin-1-yl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NC(=NO2)C3=CC(=CS3)Br)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations