Geometry & MOs

Info

ID:	373692
PubChem CID:	131318841
Reduced:	BrNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	204.089878
ΔH_f, kcal/mol:	-102.0
Dipole, Da:	0.3
IP(EA), eV:	-9.52(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-4-methyl-1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

C1COC[C@H](N1)C2=C(C=CC(=C2)Br)C(=O)O

DOS

IR

Vibrations