Geometry & MOs

Info

ID:	347319
PubChem CID:	127272113
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	328.226312
ΔH_f, kcal/mol:	-36.02
Dipole, Da:	6.09
IP(EA), eV:	-8.1(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butylpyrimidin-5-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)N3CCC(CC3)C4=NC=CS4

DOS

IR

Vibrations