Geometry & MOs

Info

ID:	80620
PubChem CID:	49835566
Reduced:	O2N6H24C25 (1)
Stoich.:	A2B6C24D25 (1)
Weight, g/mol:	442.157182
ΔH_f, kcal/mol:	54.38
Dipole, Da:	4.67
IP(EA), eV:	-8.62(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1-[4-chloro-3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC(=CN=C5)OC6CCC6)C

DOS

IR

Vibrations