Geometry & MOs

Info

ID:	251639
PubChem CID:	103105561
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	-14.53
Dipole, Da:	3.5
IP(EA), eV:	-10.38(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-propan-2-yl-5-pyridin-4-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)CN1C(=C(N=N1)C(=O)OC)C2=CC=NC=C2

DOS

IR

Vibrations