Geometry & MOs

Info

ID:	347294
PubChem CID:	127272088
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-119.89
Dipole, Da:	2.61
IP(EA), eV:	-8.87(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyl-1-methylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)CC(=O)N2CCN(CC2)CC3=CC4=CC=CC=C4O3

DOS

IR

Vibrations