Geometry & MOs

Info

ID:	347153
PubChem CID:	127271694
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-68.85
Dipole, Da:	6.23
IP(EA), eV:	-9.31(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)N3CCCOCC3

DOS

IR

Vibrations