Geometry & MOs

Info

ID:	190620
PubChem CID:	78032053
Reduced:	O2N5H11C16 (1)
Stoich.:	A2B5C11D16 (1)
Weight, g/mol:	302.120132
ΔH_f, kcal/mol:	82.02
Dipole, Da:	6.23
IP(EA), eV:	-8.84(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-1-[phenyl(triazolidin-4-yl)methyl]pyridine-2-thione

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(C3=C2C=NN3)N=C4C=CC=NC4=O

DOS

IR

Vibrations