Geometry & MOs

Info

ID:	331697
PubChem CID:	127249780
Reduced:	FO2N6C24H25 (1)
Stoich.:	AB2C6D24E25 (1)
Weight, g/mol:	428.23246
ΔH_f, kcal/mol:	-21.78
Dipole, Da:	5.07
IP(EA), eV:	-8.21(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)C4=C(C5=C(N4)C=CC(=C5)F)C

DOS

IR

Vibrations