Geometry & MOs

Info

ID:	143878
PubChem CID:	53274410
Reduced:	O2N4C16H17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	284.108026
ΔH_f, kcal/mol:	45.4
Dipole, Da:	10.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759043
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[N+]2=C(C(=O)ON2)CNCC3=CN=CC=C3

DOS

IR

Vibrations