Geometry & MOs

Info

ID:	350278
PubChem CID:	127277356
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-79.27
Dipole, Da:	6.26
IP(EA), eV:	-8.86(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]oxane-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)NCC3COCCO3

DOS

IR

Vibrations