Geometry & MOs

Info

ID:	407791
PubChem CID:	135080546
Reduced:	ON4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	1.35
Dipole, Da:	3.77
IP(EA), eV:	-8.37(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C2=NC3=C(C=C2)C=CN3)C(=O)N

DOS

IR

Vibrations