Geometry & MOs

Info

ID:	153220
PubChem CID:	56312381
Reduced:	ClO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-47.31
Dipole, Da:	5.62
IP(EA), eV:	-8.59(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-cyanophenoxy)ethyl]-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=CC(=NC=C3)Cl

DOS

IR

Vibrations