Geometry & MOs

Info

ID:	247152
PubChem CID:	103068243
Reduced:	SN3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	290.106454
ΔH_f, kcal/mol:	42.34
Dipole, Da:	3.02
IP(EA), eV:	-8.61(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propan-2-yl-2-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=C)CSC1=NC2=CC=CC=C2N1

DOS

IR

Vibrations