Geometry & MOs

Info

ID:	343248
PubChem CID:	127266421
Reduced:	NOSH11C12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	15.36
Dipole, Da:	3.26
IP(EA), eV:	-8.8(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-propan-2-yloxy-1H-indol-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C=CC(=O)NCC1=CSC2=CC=CC=C21

DOS

IR

Vibrations