Geometry & MOs

Info

ID:	152230
PubChem CID:	56311113
Reduced:	N3O3C26H35 (1)
Stoich.:	A3B3C26D35 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-115.45
Dipole, Da:	6.12
IP(EA), eV:	-8.99(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methoxyanilino)-2-oxoethyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CC(OC3=CC=CC=C32)C(=O)NC(CC)CC

DOS

IR

Vibrations