Geometry & MOs

Info

ID:	251611
PubChem CID:	103105301
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-83.17
Dipole, Da:	3.64
IP(EA), eV:	-10.04(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCC(=O)NC2CC2)C(C)C

DOS

IR

Vibrations