Geometry & MOs

Info

ID:	254661
PubChem CID:	103126808
Reduced:	N3C14H21 (1)
Stoich.:	A3B14C21 (1)
Weight, g/mol:	291.144373
ΔH_f, kcal/mol:	30.19
Dipole, Da:	3.73
IP(EA), eV:	-8.6(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-pyrrolidin-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(C)CC(C1=NN(C2=CC=CC=C21)C)N

DOS

IR

Vibrations