Geometry & MOs

Info

ID:	435242
PubChem CID:	135185991
Reduced:	N4O5C17H18 (1)
Stoich.:	A4B5C17D18 (1)
Weight, g/mol:	489.162389
ΔH_f, kcal/mol:	-153.97
Dipole, Da:	5.72
IP(EA), eV:	-9.18(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[6-(aminomethyl)pyrimidin-4-yl]oxymethyl]phenyl]-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)methanone;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1CC(=O)N(C2=C1C(=CC=C2)OC3=NC=NC(=C3)CNC(=O)O)CCO

DOS

IR

Vibrations