Geometry & MOs

Info

ID:	31182
PubChem CID:	855040
Reduced:	ClFNO2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	346.215747
ΔH_f, kcal/mol:	-89.35
Dipole, Da:	6.03
IP(EA), eV:	-8.71(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)CCNC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations