Geometry & MOs

Info

ID:	313885
PubChem CID:	126618680
Reduced:	ClN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	617.110739
ΔH_f, kcal/mol:	-81.86
Dipole, Da:	4.62
IP(EA), eV:	-9.16(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C)CN1CCC2=C(C1)C=CC(=N2)Cl

DOS

IR

Vibrations