Geometry & MOs

Info

ID:	152012
PubChem CID:	56310856
Reduced:	N4O5C22H30 (1)
Stoich.:	A4B5C22D30 (1)
Weight, g/mol:	437.267842
ΔH_f, kcal/mol:	-201.99
Dipole, Da:	3.12
IP(EA), eV:	-8.71(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-methyl-6-propan-2-ylanilino)-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)CC3=C(CNC(=O)N3)C(=O)OCC

DOS

IR

Vibrations