Geometry & MOs

Info

ID:	261648
PubChem CID:	103243462
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	-119.18
Dipole, Da:	3.18
IP(EA), eV:	-9.15(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[(2-methylcyclohexyl)methylamino]but-2-enoic acid

Drug info:

PubChemData

Smile

CC1CCCCC1CNCC2=C(OC=C2)C(=O)O

DOS

IR

Vibrations