Geometry & MOs

Info

ID:	304025
PubChem CID:	124491437
Reduced:	O2N5C11H17 (1)
Stoich.:	A2B5C11D17 (1)
Weight, g/mol:	257.12766
ΔH_f, kcal/mol:	-22.13
Dipole, Da:	3.2
IP(EA), eV:	-9.31(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-1-[(3S)-pyrrolidin-3-yl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CNC[C@H]1N2C=C(N=N2)C(=O)N3CCOCC3

DOS

IR

Vibrations