Geometry & MOs

Info

ID:	151793
PubChem CID:	56310599
Reduced:	ClO3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-40.61
Dipole, Da:	5.61
IP(EA), eV:	-8.56(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC3=NN=C(O3)C4=CC=CC=C4Cl

DOS

IR

Vibrations