Geometry & MOs

Info

ID:	251594
PubChem CID:	103105172
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-73.04
Dipole, Da:	4.65
IP(EA), eV:	-10.17(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-cyclopropylethyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C2CCC(C(C2)C)C)C

DOS

IR

Vibrations