Geometry & MOs

Info

ID:	261488
PubChem CID:	103235938
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	200.152478
ΔH_f, kcal/mol:	-30.6
Dipole, Da:	6.09
IP(EA), eV:	-9.47(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(dimethylamino)propylamino]-3-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(=O)O)CNCC2=CC=CC=N2

DOS

IR

Vibrations