Geometry & MOs

Info

ID:	306718
PubChem CID:	125235767
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-55.09
Dipole, Da:	2.65
IP(EA), eV:	-8.6(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,8R)-3-(3-methoxyphenyl)-5-methyl-4,5,10-triazatricyclo[6.3.0.02,6]undeca-2(6),3-dien-10-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CN1C2=C([C@@H]3CN(C[C@@H]3C2)C(=O)N4CCOCC4)C(=N1)C5=CC(=CC=C5)OC

DOS

IR

Vibrations