Geometry & MOs

Info

ID:	331698
PubChem CID:	127249781
Reduced:	ON6C25H28 (1)
Stoich.:	AB6C25D28 (1)
Weight, g/mol:	442.24811
ΔH_f, kcal/mol:	61.34
Dipole, Da:	5.24
IP(EA), eV:	-8.46(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1CN3CCOC(C3)C4=NC(=CC=C4)NC5=CC=CC=N5

DOS

IR

Vibrations