Geometry & MOs

Info

ID:	325572
PubChem CID:	126684019
Reduced:	OSN4C24H32 (1)
Stoich.:	ABC4D24E32 (1)
Weight, g/mol:	202.121846
ΔH_f, kcal/mol:	-8.07
Dipole, Da:	6.35
IP(EA), eV:	-8.48(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-methylpropyl)triazol-4-yl]pyridine

Drug info:

PubChemData

Smile

CC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)NC(=S)N5CCCCC5)O

DOS

IR

Vibrations