Geometry & MOs

Info

ID:	449283
PubChem CID:	135297376
Reduced:	ClNO2C10H16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	438.125882
ΔH_f, kcal/mol:	-97.2
Dipole, Da:	2.83
IP(EA), eV:	-9.5(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(8R)-5-(2-chloro-6-fluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]pyrimidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=C(O1)Cl)C(C)(C)O

DOS

IR

Vibrations