Geometry & MOs

Info

ID:	261869
PubChem CID:	103255999
Reduced:	NO4C10H19 (1)
Stoich.:	AB4C10D19 (1)
Weight, g/mol:	243.183444
ΔH_f, kcal/mol:	-183.12
Dipole, Da:	6.59
IP(EA), eV:	-9.56(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCC(=CCNCC(C)(CO)O)C(=O)O

DOS

IR

Vibrations