Geometry & MOs

Info

ID:	332052
PubChem CID:	127250338
Reduced:	O3N5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	428.23246
ΔH_f, kcal/mol:	-18.45
Dipole, Da:	6.0
IP(EA), eV:	-9.45(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CN=CN=C4

DOS

IR

Vibrations