Geometry & MOs

Info

ID:	133747
PubChem CID:	51585976
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	17.28
Dipole, Da:	7.52
IP(EA), eV:	-8.97(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]sulfonyl-1,5-dimethylpyrazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H]2CCCN2C(=O)C3=NOC(=C3)C4=C(N(N=C4)C)C)C

DOS

IR

Vibrations