Geometry & MOs

Info

ID:	152221
PubChem CID:	56311103
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-25.68
Dipole, Da:	4.95
IP(EA), eV:	-8.82(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-cyanophenoxy)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)NCC3=CC=CC=C3OC

DOS

IR

Vibrations