Geometry & MOs

Info

ID:	209311
PubChem CID:	80651156
Reduced:	SN4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	253.161269
ΔH_f, kcal/mol:	71.04
Dipole, Da:	4.57
IP(EA), eV:	-8.85(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(aminomethyl)-3-methylpyridin-2-yl]sulfanyl-N,N-diethylethanamine

Drug info:

PubChemData

Smile

CC(C)NCC1=CN=C(C=C1)SC2=NC=CN=C2

DOS

IR

Vibrations