Geometry & MOs

Info

ID:	145945
PubChem CID:	53617013
Reduced:	OSN5C15H15 (1)
Stoich.:	ABC5D15E15 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	57.09
Dipole, Da:	2.85
IP(EA), eV:	-9.23(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(NN=C1NC(=O)C2=C(N=CS2)C)C3=CC=NC=C3

DOS

IR

Vibrations