Geometry & MOs

Info

ID:	219377
PubChem CID:	85148336
Reduced:	NO5C29H35 (1)
Stoich.:	AB5C29D35 (1)
Weight, g/mol:	477.262757
ΔH_f, kcal/mol:	-196.25
Dipole, Da:	2.16
IP(EA), eV:	-9.29(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dimethoxy-3-[[4-(3-methyl-4-phenylbut-3-enyl)piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(=CCCCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N1C(=O)OC(C)(C)C

DOS

IR

Vibrations