Geometry & MOs

Info

ID:	297169
PubChem CID:	117611389
Reduced:	O2N4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	393.166411
ΔH_f, kcal/mol:	21.77
Dipole, Da:	5.73
IP(EA), eV:	-8.53(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]propan-2-yl]morpholine

Drug info:

PubChemData

Smile

C1CC2(C1)CNC(=O)C3=CC4=C(N23)C=C(C=C4)C5=NC6=C(O5)C=CC(=C6)N

DOS

IR

Vibrations