Geometry & MOs

Info

ID:	142396
PubChem CID:	53029132
Reduced:	FN4O5C26H29 (1)
Stoich.:	AB4C5D26E29 (1)
Weight, g/mol:	392.09277
ΔH_f, kcal/mol:	-216.1
Dipole, Da:	6.29
IP(EA), eV:	-9.16(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-N-(4-chlorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCC(CC2)N3CCN(C(=O)C3=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations