Geometry & MOs

Info

ID:	211662
PubChem CID:	81049263
Reduced:	N2O2C17H26 (1)
Stoich.:	A2B2C17D26 (1)
Weight, g/mol:	221.087435
ΔH_f, kcal/mol:	-91.83
Dipole, Da:	5.97
IP(EA), eV:	-8.28(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)NC(=O)CC(C)C2CCCNC2

DOS

IR

Vibrations