Geometry & MOs

Info

ID:	421700
PubChem CID:	135116444
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	324.084097
ΔH_f, kcal/mol:	-98.69
Dipole, Da:	3.29
IP(EA), eV:	-9.03(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4,5-difluoro-N-[1-(3-methylpyridin-2-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)(C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34)O

DOS

IR

Vibrations