Geometry & MOs

Info

ID:	371953
PubChem CID:	131282446
Reduced:	N3O4H7C9 (1)
Stoich.:	A3B4C7D9 (1)
Weight, g/mol:	172.100048
ΔH_f, kcal/mol:	-85.08
Dipole, Da:	3.31
IP(EA), eV:	-10.32(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,4-dimethyl-2,3-dihydro-1H-indole-5-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=NC2=C(C=NN2)C(=C1)C(=O)O

DOS

IR

Vibrations