Geometry & MOs

Info

ID:	128089
PubChem CID:	51030594
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	346.240899
ΔH_f, kcal/mol:	15.19
Dipole, Da:	5.66
IP(EA), eV:	-8.82(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,8-diethyl-3-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

Drug info:

PubChemData

Smile

C[C@]12CC3=C(C=C1CC[C@@H]2CC(C4=CN=C(C=C4)OC)O)N(N=C3)C5=CN=CC=C5

DOS

IR

Vibrations