Geometry & MOs

Info

ID:	268060
PubChem CID:	103597611
Reduced:	ClN3O4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-67.22
Dipole, Da:	4.65
IP(EA), eV:	-9.55(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,3-benzoxazol-2-yl)prop-2-enoylamino]-3-methylpentanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CCNC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations