Geometry & MOs

Info

ID:	313893
PubChem CID:	126618703
Reduced:	ClN3O3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	455.165663
ΔH_f, kcal/mol:	-59.62
Dipole, Da:	4.93
IP(EA), eV:	-8.71(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CN1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OCC4=CC=CC=C4Cl

DOS

IR

Vibrations