Geometry & MOs

Info

ID:	323926
PubChem CID:	126676627
Reduced:	ClO2N3C25H26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	441.101082
ΔH_f, kcal/mol:	-0.92
Dipole, Da:	1.49
IP(EA), eV:	-8.81(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCC=O)N1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations