Geometry & MOs

Info

ID:	199301
PubChem CID:	79227835
Reduced:	SN2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	305.217721
ΔH_f, kcal/mol:	41.93
Dipole, Da:	2.91
IP(EA), eV:	-7.86(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine

Drug info:

PubChemData

Smile

C1CN(C2=C1C=C(C=C2)N)CC3CC4=CC=CC=C4S3

DOS

IR

Vibrations