Geometry & MOs

Info

ID:	347145
PubChem CID:	127271649
Reduced:	ON5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	366.241962
ΔH_f, kcal/mol:	15.37
Dipole, Da:	2.61
IP(EA), eV:	-9.02(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations