Geometry & MOs

Info

ID:	313916
PubChem CID:	126618926
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	469.156848
ΔH_f, kcal/mol:	-58.4
Dipole, Da:	5.65
IP(EA), eV:	-8.6(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=CC=C(C=C2)C3=NC=C4CN(CCC4=N3)CC(C)CC(=O)O

DOS

IR

Vibrations