Geometry & MOs

Info

ID:	139030
PubChem CID:	52462119
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	380.148455
ΔH_f, kcal/mol:	-101.06
Dipole, Da:	3.56
IP(EA), eV:	-8.69(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-1,3-benzoxazol-5-yl)-5-nitro-2-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NC(=O)[C@H](C(C)C)NC(=O)N

DOS

IR

Vibrations