Geometry & MOs

Info

ID:	60847
PubChem CID:	26702602
Reduced:	SO2N5H15C22 (1)
Stoich.:	AB2C5D15E22 (1)
Weight, g/mol:	347.163377
ΔH_f, kcal/mol:	91.56
Dipole, Da:	3.99
IP(EA), eV:	-8.91(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)NC(=O)C4=CC=C(C=C4)N5C=CC=N5

DOS

IR

Vibrations