Geometry & MOs

Info

ID:	198043
PubChem CID:	79036029
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	237.15896
ΔH_f, kcal/mol:	-70.09
Dipole, Da:	1.8
IP(EA), eV:	-8.73(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(diethylamino)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)CC2CC3=CC=CC=C3O2)CO

DOS

IR

Vibrations