Geometry & MOs

Info

ID:	181548
PubChem CID:	76760604
Reduced:	NO3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	432.26376
ΔH_f, kcal/mol:	-140.6
Dipole, Da:	3.5
IP(EA), eV:	-9.64(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-amino-1-adamantyl)methylamino]-2-[(2-ethoxyphenyl)methylamino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1C2CC3CC(C2)(CC1C3CC(=O)OCC4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations