Geometry & MOs

Info

ID:	151901
PubChem CID:	56310725
Reduced:	N4O5C23H28 (1)
Stoich.:	A4B5C23D28 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-92.43
Dipole, Da:	5.12
IP(EA), eV:	-8.6(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(N-ethyl-2-methylanilino)-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)N(C)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations