Geometry & MOs

Info

ID:	35857
PubChem CID:	7980410
Reduced:	N2O3H14C15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-64.81
Dipole, Da:	4.59
IP(EA), eV:	-9.71(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-(adamantane-1-carbonylamino)acetyl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)C2=CC=CC=N2

DOS

IR

Vibrations