Geometry & MOs

Info

ID:	157058
PubChem CID:	56413185
Reduced:	F2N2O4C21H30 (1)
Stoich.:	A2B2C4D21E30 (1)
Weight, g/mol:	460.283826
ΔH_f, kcal/mol:	-262.77
Dipole, Da:	3.33
IP(EA), eV:	-8.91(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC(F)F)OC

DOS

IR

Vibrations