Geometry & MOs

Info

ID:	189021
PubChem CID:	77804058
Reduced:	O5C25H42 (1)
Stoich.:	A5B25C42 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	-254.28
Dipole, Da:	7.54
IP(EA), eV:	-9.73(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCCCCCC=CC1C(CC(=O)C1CC=CCCC(C(=O)O)OCC)OCCC

DOS

IR

Vibrations