Geometry & MOs

Info

ID:	186616
PubChem CID:	77456037
Reduced:	FN4O6H15C16 (1)
Stoich.:	AB4C6D15E16 (1)
Weight, g/mol:	272.124881
ΔH_f, kcal/mol:	-159.85
Dipole, Da:	5.45
IP(EA), eV:	-9.81(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-3,8-diazabicyclo[4.2.0]octane

Drug info:

PubChemData

Smile

C1CC(OC1CO)N2C=C(C(=NC2=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])F

DOS

IR

Vibrations