Geometry & MOs

Info

ID:	417030
PubChem CID:	135091139
Reduced:	ClN3O4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-101.09
Dipole, Da:	2.74
IP(EA), eV:	-9.55(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-methoxyphenoxy)propanamide

Drug info:

PubChemData

Smile

COCCNC1=NOC(=C1C(=O)NCC2CCOC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations