Geometry & MOs

Info

ID:	331699
PubChem CID:	127249782
Reduced:	ON6C26H30 (1)
Stoich.:	AB6C26D30 (1)
Weight, g/mol:	446.223038
ΔH_f, kcal/mol:	51.76
Dipole, Da:	5.4
IP(EA), eV:	-8.58(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoropyridin-2-yl)-6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=CC=CC(=N2)C3CN(CCO3)CC4=NC5=CC=CC=C5N4C(C)C

DOS

IR

Vibrations