Geometry & MOs

Info

ID:	442893
PubChem CID:	135256788
Reduced:	FO2N8H23C30 (1)
Stoich.:	AB2C8D23E30 (1)
Weight, g/mol:	511.212058
ΔH_f, kcal/mol:	63.14
Dipole, Da:	10.66
IP(EA), eV:	-8.89(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(3-cyanoanilino)-6-methylpyrimidin-2-yl]-N-[1-(6-phenylpyridin-3-yl)ethyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC(=C(N=C2)C(=O)NCC3=CN=C(C=C3)C4=CN=C(C=C4)OC)F)NC5=CC=CC(=C5)C#N

DOS

IR

Vibrations