Geometry & MOs

Info

ID:	199243
PubChem CID:	79222397
Reduced:	SN3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	263.134385
ΔH_f, kcal/mol:	45.57
Dipole, Da:	5.43
IP(EA), eV:	-8.46(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methoxycyclopentan-1-amine

Drug info:

PubChemData

Smile

C1C(SC2=CC=CC=C21)CNCCCCN3C=CN=C3

DOS

IR

Vibrations