Geometry & MOs

Info

ID:	251774
PubChem CID:	103106828
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	14.55
Dipole, Da:	2.75
IP(EA), eV:	-9.55(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-(2-hydroxycycloheptyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CC(=NN2C)C)C3CC3

DOS

IR

Vibrations