Geometry & MOs

Info

ID:	251852
PubChem CID:	103107343
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-10.29
Dipole, Da:	4.37
IP(EA), eV:	-8.53(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-(3-hydroxybutan-2-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=CC2=C(C=C1)NC=C2

DOS

IR

Vibrations