Geometry & MOs

Info

ID:	217360
PubChem CID:	85087692
Reduced:	N2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	356.170454
ΔH_f, kcal/mol:	-62.11
Dipole, Da:	1.61
IP(EA), eV:	-9.63(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-1-ethyl-5-methylpyrazol-3-yl)-[2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCCC(C)C1=C(C(=NO1)C)C2=NC(C(O2)C3=CC=CC=C3)COC

DOS

IR

Vibrations