Geometry & MOs

Info

ID:	316165
PubChem CID:	126630253
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	433.216555
ΔH_f, kcal/mol:	6.72
Dipole, Da:	1.85
IP(EA), eV:	-9.29(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-(1-fluoro-2-phenylethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=NC(=NC=C2C1)C#CC3=CC=CC=C3

DOS

IR

Vibrations