Geometry & MOs

Info

ID:	261846
PubChem CID:	103255049
Reduced:	NSO4C7H9 (1)
Stoich.:	ABC4D7E9 (1)
Weight, g/mol:	199.120843
ΔH_f, kcal/mol:	-135.56
Dipole, Da:	4.61
IP(EA), eV:	-9.95(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[(2-hydroxycyclopentyl)methylamino]prop-2-enoate

Drug info:

PubChemData

Smile

C1C(C=CS1(=O)=O)N/C=C/C(=O)O

DOS

IR

Vibrations