Geometry & MOs

Info

ID:	330591
PubChem CID:	127247998
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-114.89
Dipole, Da:	2.53
IP(EA), eV:	-8.73(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)N2CCC(C2)(CN(C)C)O

DOS

IR

Vibrations