Geometry & MOs

Info

ID:	427335
PubChem CID:	135157280
Reduced:	ON4H12C14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	458.206639
ΔH_f, kcal/mol:	59.81
Dipole, Da:	2.61
IP(EA), eV:	-9.12(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,8-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(CO)C2=NC3=NC=CN=C3C=C2

DOS

IR

Vibrations