Geometry & MOs

Info

ID:	213635
PubChem CID:	81064445
Reduced:	BrNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	199.120843
ΔH_f, kcal/mol:	-169.42
Dipole, Da:	5.18
IP(EA), eV:	-8.94(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(pent-4-enoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCCOC1=CC=C(C=C1)Br

DOS

IR

Vibrations