Geometry & MOs

Info

ID:	368027
PubChem CID:	127326519
Reduced:	ON6C21H30 (1)
Stoich.:	AB6C21D30 (1)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	16.9
Dipole, Da:	3.87
IP(EA), eV:	-9.56(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylpyrimidin-2-yl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC=CC=C2)NC(=O)N3CCCC3CC4CCCCC4

DOS

IR

Vibrations