Geometry & MOs

Info

ID:	186682
PubChem CID:	77467315
Reduced:	ClO2N5C28H36 (1)
Stoich.:	AB2C5D28E36 (1)
Weight, g/mol:	344.153621
ΔH_f, kcal/mol:	-37.61
Dipole, Da:	10.1
IP(EA), eV:	-8.74(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C2CC(=NN2C3=CC(=C(C=C3)C#N)Cl)C4CCC5(CC4)CN(C5)C(=O)N6CCC(C6)O

DOS

IR

Vibrations