Geometry & MOs

Info

ID:	132213
PubChem CID:	51322220
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	295.146681
ΔH_f, kcal/mol:	-24.82
Dipole, Da:	7.35
IP(EA), eV:	-9.43(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCC1CCCCN1C(=O)C2=CC(=NC3=C2C(=NO3)C)C4=CC=CO4

DOS

IR

Vibrations