Geometry & MOs

Info

ID:	186621
PubChem CID:	77456176
Reduced:	FO3N4C26H27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	399.13562
ΔH_f, kcal/mol:	-85.31
Dipole, Da:	3.77
IP(EA), eV:	-9.25(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-5-fluoro-3-pyridin-2-ylbenzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(COCC1=CC=CC=C1)C2=NC3=C(N2C4=CC=CC=N4)C=C(C=C3)F

DOS

IR

Vibrations