Geometry & MOs

Info

ID:	261685
PubChem CID:	103245381
Reduced:	NSO4C11H15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	195.125929
ΔH_f, kcal/mol:	-157.39
Dipole, Da:	3.85
IP(EA), eV:	-9.4(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(cyclohex-3-en-1-ylmethylamino)but-2-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCNCC1=C(SC=C1)C(=O)O

DOS

IR

Vibrations