Geometry & MOs

Info

ID:	78425
PubChem CID:	49689583
Reduced:	N3O5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	395.080347
ΔH_f, kcal/mol:	-103.73
Dipole, Da:	6.47
IP(EA), eV:	-9.78(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-N-[[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CCC(CC2)CNC(=O)C3=CC(=O)C4=CC=CC=C4O3

DOS

IR

Vibrations