Geometry & MOs

Info

ID:	153222
PubChem CID:	56312383
Reduced:	FO2N3C24H26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-70.19
Dipole, Da:	0.77
IP(EA), eV:	-8.22(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-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=C4C(=CC(=C3)F)C=CC=N4

DOS

IR

Vibrations