Geometry & MOs

Info

ID:	152119
PubChem CID:	56310979
Reduced:	FO3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-76.85
Dipole, Da:	3.37
IP(EA), eV:	-8.85(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(pentan-3-ylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC3=NC(=NO3)C4=CC(=C(C=C4)C)F

DOS

IR

Vibrations