Geometry & MOs

Info

ID:	28898
PubChem CID:	830462
Reduced:	N3C19H21 (1)
Stoich.:	A3B19C21 (1)
Weight, g/mol:	291.173548
ΔH_f, kcal/mol:	61.28
Dipole, Da:	4.79
IP(EA), eV:	-8.33(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[(S)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)[C@@H](C3=CC=NC=C3)N4CCCC4

DOS

IR

Vibrations