Geometry & MOs

Info

ID:	14117
PubChem CID:	404930
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-20.09
Dipole, Da:	7.07
IP(EA), eV:	-8.27(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydroindole-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)N2C3=C(CCCC3)C(=C2N)C#N)OC

DOS

IR

Vibrations