Geometry & MOs

Info

ID:	313935
PubChem CID:	126619073
Reduced:	ClFON2H18C21 (1)
Stoich.:	ABCD2E18F21 (1)
Weight, g/mol:	465.181919
ΔH_f, kcal/mol:	-13.19
Dipole, Da:	3.02
IP(EA), eV:	-8.88(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

C1CNCC2=C1N=C(C=C2)C3=CC(=C(C=C3)OCC4=CC=CC=C4F)Cl

DOS

IR

Vibrations