Geometry & MOs

Info

ID:	449099
PubChem CID:	135295982
Reduced:	N2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	380.144868
ΔH_f, kcal/mol:	67.6
Dipole, Da:	1.55
IP(EA), eV:	-9.23(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C=C1)CCC#C

DOS

IR

Vibrations