Geometry & MOs

Info

ID:	342502
PubChem CID:	127265657
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-149.83
Dipole, Da:	7.22
IP(EA), eV:	-9.74(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylbut-2-enoylamino)methyl]-3-(2-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations