Geometry & MOs

Info

ID:	5286
PubChem CID:	12904
Reduced:	Cl2N2O2C13H14 (1)
Stoich.:	A2B2C2D13E14 (1)
Weight, g/mol:	300.043233
ΔH_f, kcal/mol:	-66.52
Dipole, Da:	2.88
IP(EA), eV:	-8.7(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[bis(2-chloroethyl)amino]-1H-indole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N(CCCl)CCCl)C=C(N2)C(=O)O

DOS

IR

Vibrations