Geometry & MOs

Info

ID:	313936
PubChem CID:	126619074
Reduced:	ClN3O3C26H28 (1)
Stoich.:	AB3C3D26E28 (1)
Weight, g/mol:	495.233348
ΔH_f, kcal/mol:	-67.71
Dipole, Da:	7.99
IP(EA), eV:	-8.73(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[2-[4-[[3-(difluoromethyl)phenyl]methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)CN1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations