Geometry & MOs

Info

ID:	152015
PubChem CID:	56310859
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-61.07
Dipole, Da:	7.46
IP(EA), eV:	-8.94(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-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(CCC#N)C3=CC=CC=C3

DOS

IR

Vibrations