Geometry & MOs

Info

ID:	216726
PubChem CID:	85086676
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	296.137222
ΔH_f, kcal/mol:	-68.6
Dipole, Da:	7.02
IP(EA), eV:	-8.91(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC1CN(C(=S)NC1=O)COCC2=CC=C(C=C2)C

DOS

IR

Vibrations