Geometry & MOs

Info

ID:	126845
PubChem CID:	50981202
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-4.46
Dipole, Da:	2.36
IP(EA), eV:	-8.93(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-5-[2-(2-methoxyphenyl)ethyl]-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=NC(=NN2C3=CC4=C(C=C3)OCO4)CC(C)C

DOS

IR

Vibrations