Geometry & MOs

Info

ID:	57809
PubChem CID:	24277499
Reduced:	SN3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	42.94
Dipole, Da:	6.48
IP(EA), eV:	-8.11(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(SC3=NCCCN23)CN

DOS

IR

Vibrations