Geometry & MOs

Info

ID:	344487
PubChem CID:	127268071
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	357.196489
ΔH_f, kcal/mol:	-155.81
Dipole, Da:	4.26
IP(EA), eV:	-9.54(-1.38)
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-(3-fluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1CCCN(C1)CC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)C

DOS

IR

Vibrations