Geometry & MOs

Info

ID:	261748
PubChem CID:	103249137
Reduced:	NO3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	199.120843
ΔH_f, kcal/mol:	-135.57
Dipole, Da:	3.53
IP(EA), eV:	-9.85(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[[1-(hydroxymethyl)cyclopentyl]amino]prop-2-enoate

Drug info:

PubChemData

Smile

C1CCC(CC1)(CO)NC(C2CC2)C(=O)O

DOS

IR

Vibrations