Geometry & MOs

Info

ID:	313954
PubChem CID:	126619172
Reduced:	F3N3O3C27H28 (1)
Stoich.:	A3B3C3D27E28 (1)
Weight, g/mol:	463.166269
ΔH_f, kcal/mol:	-219.84
Dipole, Da:	8.89
IP(EA), eV:	-8.75(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C(F)(F)F)COC2=CC=C(C=C2)C3=NC=C4CN(CCC4=N3)CC(C)CC(=O)O

DOS

IR

Vibrations