Geometry & MOs

Info

ID:	261874
PubChem CID:	103256438
Reduced:	N2O3C9H14 (1)
Stoich.:	A2B3C9D14 (1)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-110.03
Dipole, Da:	6.17
IP(EA), eV:	-9.51(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-4-[(1-hydroxy-3-methylbutan-2-yl)amino]but-2-enoate

Drug info:

PubChemData

Smile

C1CC1NC(=O)CCN/C=C/C(=O)O

DOS

IR

Vibrations