Geometry & MOs

Info

ID:	316153
PubChem CID:	126630230
Reduced:	F2O2N3C26H27 (1)
Stoich.:	A2B2C3D26E27 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-138.59
Dipole, Da:	5.5
IP(EA), eV:	-9.44(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)C(CC4=CC=CC=C4)(F)F

DOS

IR

Vibrations