Geometry & MOs

Info

ID:	367519
PubChem CID:	127324870
Reduced:	O4N5C19H21 (1)
Stoich.:	A4B5C19D21 (1)
Weight, g/mol:	235.193614
ΔH_f, kcal/mol:	-102.12
Dipole, Da:	3.01
IP(EA), eV:	-8.64(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methylcyclohexyl)ethanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2C(CCC(=O)N2C)C(=O)NC3=CC4=C(C=C3)NC(=O)CO4

DOS

IR

Vibrations