Geometry & MOs

Info

ID:	265647
PubChem CID:	103536878
Reduced:	NO3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	210.111676
ΔH_f, kcal/mol:	-154.73
Dipole, Da:	4.28
IP(EA), eV:	-8.92(1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxypyrrolidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone

Drug info:

PubChemData

Smile

COC1CN(CC1OC)CC2(CCCCC2)O

DOS

IR

Vibrations