Geometry & MOs

Info

ID:	375360
PubChem CID:	131500079
Reduced:	NOSC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	171.079647
ΔH_f, kcal/mol:	-6.09
Dipole, Da:	2.06
IP(EA), eV:	-8.27(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-3-methyl-1H-indole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CC2=C(SC=C2)N

DOS

IR

Vibrations