Geometry & MOs

Info

ID:	144724
PubChem CID:	53403243
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	223.040006
ΔH_f, kcal/mol:	-124.92
Dipole, Da:	4.25
IP(EA), eV:	-9.23(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-chloro-3-methyl-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C)C(=O)OC

DOS

IR

Vibrations