Geometry & MOs

Info

ID:	208620
PubChem CID:	80553595
Reduced:	N3C17H25 (1)
Stoich.:	A3B17C25 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	24.76
Dipole, Da:	2.18
IP(EA), eV:	-8.33(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[4-(3-methylbut-2-enoylamino)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC(CNC1)CNCCCN2C=CC3=CC=CC=C32

DOS

IR

Vibrations