Geometry & MOs

Info

ID:	360391
PubChem CID:	127301036
Reduced:	OSN5C19H25 (1)
Stoich.:	ABC5D19E25 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	26.38
Dipole, Da:	6.95
IP(EA), eV:	-8.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]phenyl]methyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)CN3CCSCC3)N4C=NC=N4

DOS

IR

Vibrations