Geometry & MOs

Info

ID:	190719
PubChem CID:	78047012
Reduced:	O2N7H21C27 (1)
Stoich.:	A2B7C21D27 (1)
Weight, g/mol:	488.196074
ΔH_f, kcal/mol:	89.26
Dipole, Da:	11.38
IP(EA), eV:	-9.31(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[1-[5-(5-methoxypyridin-2-yl)-4-oxo-3-phenyl-3H-naphthalen-2-yl]ethylamino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C(=CC=C2)C3C=CC(=O)N=C3)C(=O)N1C4=CC=CC=C4)NC5=NC(=NC=C5C#N)N

DOS

IR

Vibrations