Geometry & MOs

Info

ID:	342504
PubChem CID:	127265659
Reduced:	NO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-115.21
Dipole, Da:	5.74
IP(EA), eV:	-10.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[(2-methylbut-2-enoylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(=CC(=O)NCC1=CC=C(O1)C(=O)O)C2CC2

DOS

IR

Vibrations