Geometry & MOs

Info

ID:	254601
PubChem CID:	103126426
Reduced:	N5C16H21 (1)
Stoich.:	A5B16C21 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	90.2
Dipole, Da:	1.65
IP(EA), eV:	-8.39(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(pyridin-4-ylmethyl)-5-pyrrolidin-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CC(C2=NN(C3=CC=CC=C32)C)NC

DOS

IR

Vibrations