Geometry & MOs

Info

ID:	373448
PubChem CID:	131315509
Reduced:	SN3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	65.08
Dipole, Da:	6.98
IP(EA), eV:	-8.03(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-amino-1-methylindole-7-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)N)C2=CC=CS2)C#N

DOS

IR

Vibrations