Geometry & MOs

Info

ID:	240918
PubChem CID:	93618200
Reduced:	SO3N4C15H24 (1)
Stoich.:	AB3C4D15E24 (1)
Weight, g/mol:	344.23246
ΔH_f, kcal/mol:	-105.76
Dipole, Da:	6.69
IP(EA), eV:	-9.25(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=N1)CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C

DOS

IR

Vibrations