Geometry & MOs

Info

ID:	261528
PubChem CID:	103238268
Reduced:	SN2O3C7H10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	-92.34
Dipole, Da:	4.99
IP(EA), eV:	-9.7(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-methyl-4-(1-pyridin-2-ylethylamino)but-2-enoic acid

Drug info:

PubChemData

Smile

C1=C(N=C(S1)C(=O)O)CNCCO

DOS

IR

Vibrations