Geometry & MOs

Info

ID:	313906
PubChem CID:	126618851
Reduced:	ClN3O3C26H28 (1)
Stoich.:	AB3C3D26E28 (1)
Weight, g/mol:	487.142947
ΔH_f, kcal/mol:	-67.5
Dipole, Da:	4.48
IP(EA), eV:	-8.7(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-6-yl]-3-methylbutanoic acid;chloride

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)CN1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations