Geometry & MOs

Info

ID:	197470
PubChem CID:	78968528
Reduced:	ClFN2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	293.165876
ΔH_f, kcal/mol:	-3.12
Dipole, Da:	2.61
IP(EA), eV:	-8.32(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloro-1H-indol-3-yl)methyl]-N',N'-diethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCC2=CNC3=C2C=CC(=C3)Cl)F

DOS

IR

Vibrations