Geometry & MOs

Info

ID:	184274
PubChem CID:	77138289
Reduced:	NO3H21C23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	456.161599
ΔH_f, kcal/mol:	2.54
Dipole, Da:	11.51
IP(EA), eV:	-9.07(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluorophenyl)-[2-[[1-(3-methoxyphenyl)ethylamino]methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]methanone;hydrochloride

Drug info:

PubChemData

Smile

CC(=CCCC1(C=C=C2C(=CC(=O)C3=C2NC4=CC=CC=C4C3=O)O1)C)C

DOS

IR

Vibrations