Geometry & MOs

Info

ID:	254611
PubChem CID:	103126508
Reduced:	NC6H7 (3)
Stoich.:	AB6C7 (3)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	71.37
Dipole, Da:	2.07
IP(EA), eV:	-8.46(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-methoxypropyl)-5-pyrrolidin-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C2=NN(C3=CC=CC=C32)C)NC

DOS

IR

Vibrations