Geometry & MOs

Info

ID:	372254
PubChem CID:	131294706
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	233.071975
ΔH_f, kcal/mol:	-27.15
Dipole, Da:	1.18
IP(EA), eV:	-8.52(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(7-chloro-3-methyl-1H-indol-5-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC(=C2)C(C)CCN)C

DOS

IR

Vibrations