Geometry & MOs

Info

ID:	129941
PubChem CID:	51074326
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	-20.97
Dipole, Da:	2.35
IP(EA), eV:	-9.35(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-[2-(1,2-benzoxazol-3-yl)acetyl]anilino)propanamide

Drug info:

PubChemData

Smile

C1CC(C1)(C2=CC=CC=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations