Geometry & MOs

Info

ID:	157028
PubChem CID:	56413035
Reduced:	F3N5C18H24 (1)
Stoich.:	A3B5C18D24 (1)
Weight, g/mol:	447.176976
ΔH_f, kcal/mol:	-90.62
Dipole, Da:	7.06
IP(EA), eV:	-9.67(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-2-[[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCCCN1C(=NN=N1)CN2CCCCC2C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations