Geometry & MOs

Info

ID:	152007
PubChem CID:	56310848
Reduced:	ClON5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	66.27
Dipole, Da:	2.49
IP(EA), eV:	-9.26(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2CC2)CC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

DOS

IR

Vibrations