Geometry & MOs

Info

ID:	181676
PubChem CID:	76773911
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	-68.16
Dipole, Da:	5.04
IP(EA), eV:	-8.46(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-methylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2CC3CCC2C3

DOS

IR

Vibrations