Geometry & MOs

Info

ID:	260142
PubChem CID:	103182899
Reduced:	ClO2N4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	299.184506
ΔH_f, kcal/mol:	-66.89
Dipole, Da:	7.86
IP(EA), eV:	-9.19(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(3-methoxypropoxy)ethyl]-5-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1N)C)CN2C=C(C(=O)NC2=O)Cl

DOS

IR

Vibrations