Geometry & MOs

Info

ID:	251614
PubChem CID:	103105321
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-92.86
Dipole, Da:	2.75
IP(EA), eV:	-9.89(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(cyclobutylmethyl)-5-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(=O)N(C)C)C(C)C

DOS

IR

Vibrations