Geometry & MOs

Info

ID:	202981
PubChem CID:	79756340
Reduced:	N3C18H19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	61.17
Dipole, Da:	3.36
IP(EA), eV:	-7.65(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[2-(2-methylphenyl)ethylamino]-4-oxo-2-propan-2-ylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCNC2=C3C(=C(C=C2)N)C=CC=N3

DOS

IR

Vibrations