Geometry & MOs

Info

ID:	26109
PubChem CID:	638977
Reduced:	OC14H20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	166.121846
ΔH_f, kcal/mol:	-24.39
Dipole, Da:	2.99
IP(EA), eV:	-8.72(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC[C@]2(CCC(=C2CC1)C(=O)C)C

DOS

IR

Vibrations