Geometry & MOs

Info

ID:	227671
PubChem CID:	87562202
Reduced:	O2N5C7H11 (1)
Stoich.:	A2B5C7D11 (1)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	45.02
Dipole, Da:	7.16
IP(EA), eV:	-10.7(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

adamantane;4-aminobenzoyl isocyanate

Drug info:

PubChemData

Smile

CCNC(=O)ON1C(=NN=N1)C2CC2

DOS

IR

Vibrations