Geometry & MOs

Info

ID:	44167
PubChem CID:	10501256
Reduced:	ClO3N5C19H20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	401.212157
ΔH_f, kcal/mol:	-57.87
Dipole, Da:	4.31
IP(EA), eV:	-9.36(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(4-phenylphenyl)-2-propoxy-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ium;chloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCN1C=NC2=C1N=C(N=C2Cl)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations