Geometry & MOs

Info

ID:	435175
PubChem CID:	135183189
Reduced:	O3N5C31H33 (1)
Stoich.:	A3B5C31D33 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-40.39
Dipole, Da:	7.21
IP(EA), eV:	-8.37(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-(2-aminoethylamino)-5-oxopentanoate

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)NC3=CN=CC=C3)CC(=O)N4CCC[C@H]4C(=O)NCCCC5=CC=CC=C5

DOS

IR

Vibrations