Geometry & MOs

Info

ID:	330624
PubChem CID:	127248031
Reduced:	FN2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-156.44
Dipole, Da:	6.37
IP(EA), eV:	-8.94(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCC(C2)(CN3CCCC3)O)F

DOS

IR

Vibrations