Geometry & MOs

Info

ID:	143875
PubChem CID:	53274395
Reduced:	O2N3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	268.137577
ΔH_f, kcal/mol:	-11.08
Dipole, Da:	5.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.833215
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-N-(1H-indol-4-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

CCC(C)NCC1=[N+](NOC1=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations