Geometry & MOs

Info

ID:	330612
PubChem CID:	127248019
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	292.158706
ΔH_f, kcal/mol:	-49.31
Dipole, Da:	6.26
IP(EA), eV:	-8.6(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CN(C)CC1(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)O

DOS

IR

Vibrations