Geometry & MOs

Info

ID:	289889
PubChem CID:	104383217
Reduced:	OSN4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	404.04193
ΔH_f, kcal/mol:	-3.4
Dipole, Da:	6.54
IP(EA), eV:	-8.59(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=C(N12)CNCC(=O)N3CCCC3)C

DOS

IR

Vibrations