Geometry & MOs

Info

ID:	421351
PubChem CID:	135115823
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	-99.53
Dipole, Da:	4.94
IP(EA), eV:	-8.05(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN(C)S(=O)(=O)N1CCC2(CC1)C3=C(CCO2)C4=CC=CC=C4N3

DOS

IR

Vibrations