Geometry & MOs

Info

ID:	152919
PubChem CID:	56312010
Reduced:	N4O5C23H28 (1)
Stoich.:	A4B5C23D28 (1)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	-103.88
Dipole, Da:	9.65
IP(EA), eV:	-8.94(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-nitroanilino)-2-oxoethyl]-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)CC(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-]

DOS

IR

Vibrations