Geometry & MOs

Info

ID:	347130
PubChem CID:	127271634
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-74.79
Dipole, Da:	5.14
IP(EA), eV:	-8.7(-0.08)
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)ethyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCC3COC4=CC=CC=C4O3

DOS

IR

Vibrations