Geometry & MOs

Info

ID:	152443
PubChem CID:	56311370
Reduced:	N3O6C23H27 (1)
Stoich.:	A3B6C23D27 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-143.28
Dipole, Da:	5.41
IP(EA), eV:	-8.75(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-nitrophenyl)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=CC(=CC4=C3OCOC4)[N+](=O)[O-]

DOS

IR

Vibrations