Geometry & MOs

Info

ID:	143330
PubChem CID:	53191390
Reduced:	OSN2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	271.179696
ΔH_f, kcal/mol:	-25.7
Dipole, Da:	6.52
IP(EA), eV:	-8.2(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine

Drug info:

PubChemData

Smile

CC(C)N1C=C2C=C(SC2=C1)C(=O)NC3CCCC3

DOS

IR

Vibrations