Geometry & MOs

Info

ID:	345911
PubChem CID:	127270211
Reduced:	O3N4C18H30 (1)
Stoich.:	A3B4C18D30 (1)
Weight, g/mol:	357.196489
ΔH_f, kcal/mol:	-96.36
Dipole, Da:	4.16
IP(EA), eV:	-9.02(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NCC1CCCN(C1)CC2=NOC(=N2)C3CCOCC3

DOS

IR

Vibrations