Geometry & MOs

Info

ID:	347169
PubChem CID:	127271710
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-36.29
Dipole, Da:	5.65
IP(EA), eV:	-9.18(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,1-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)N3CCCCC3

DOS

IR

Vibrations