Geometry & MOs

Info

ID:	71075
PubChem CID:	48414254
Reduced:	SN4O4C18H24 (1)
Stoich.:	AB4C4D18E24 (1)
Weight, g/mol:	390.06914
ΔH_f, kcal/mol:	-120.52
Dipole, Da:	2.87
IP(EA), eV:	-9.41(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C(=O)NCC2=C(NN=C2)C)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations