Geometry & MOs

Info

ID:	152911
PubChem CID:	56312001
Reduced:	ClFN3O3C23H27 (1)
Stoich.:	ABC3D3E23F27 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-150.28
Dipole, Da:	5.27
IP(EA), eV:	-8.46(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylprop-2-enyl)-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)CCC(=O)NC3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations