Geometry & MOs

Info

ID:	48918
PubChem CID:	11528477
Reduced:	N3C11H13 (1)
Stoich.:	A3B11C13 (1)
Weight, g/mol:	187.157229
ΔH_f, kcal/mol:	68.58
Dipole, Da:	3.67
IP(EA), eV:	-9.39(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-4,6-dimethylheptanoic acid

Drug info:

PubChemData

Smile

C1CC2(CNC2)C=C1C3=CN=CN=C3

DOS

IR

Vibrations