Geometry & MOs

Info

ID:	304022
PubChem CID:	124491411
Reduced:	N2O3C9H12 (1)
Stoich.:	A2B3C9D12 (1)
Weight, g/mol:	195.11201
ΔH_f, kcal/mol:	-72.86
Dipole, Da:	3.65
IP(EA), eV:	-9.05(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[(3R)-pyrrolidin-3-yl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CNC1)C2=NOC=C2C(=O)O

DOS

IR

Vibrations