Geometry & MOs

Info

ID:	204795
PubChem CID:	80009127
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	272.173607
ΔH_f, kcal/mol:	-106.51
Dipole, Da:	7.37
IP(EA), eV:	-9.31(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[5-(aminomethyl)oxolane-2-carbonyl]amino]heptanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(=O)N)C(=O)C1=CC=C(O1)CN

DOS

IR

Vibrations