Geometry & MOs

Info

ID:	139369
PubChem CID:	52518783
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	409.18758
ΔH_f, kcal/mol:	-4.63
Dipole, Da:	7.09
IP(EA), eV:	-8.93(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(3S)-3-(4-methoxyphenyl)-5-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-ylethanone

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)NC[C@H]4CCCN(C4)C(C)C

DOS

IR

Vibrations