Geometry & MOs

Info

ID:	194339
PubChem CID:	78518055
Reduced:	N4O5C17H18 (1)
Stoich.:	A4B5C17D18 (1)
Weight, g/mol:	401.195071
ΔH_f, kcal/mol:	-155.24
Dipole, Da:	2.19
IP(EA), eV:	-9.41(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1-adamantylamino)-1-oxopropan-2-yl] 4-(methylamino)-3-nitrobenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations