Geometry & MOs

Info

ID:	77581
PubChem CID:	49655557
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	303.149538
ΔH_f, kcal/mol:	-61.66
Dipole, Da:	1.0
IP(EA), eV:	-8.72(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)methyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C1C(=O)NCCN3CCOCC3)OC=C2

DOS

IR

Vibrations