Geometry & MOs

Info

ID:	153233
PubChem CID:	56312395
Reduced:	O4N5C24H35 (1)
Stoich.:	A4B5C24D35 (1)
Weight, g/mol:	414.241962
ΔH_f, kcal/mol:	-128.19
Dipole, Da:	6.1
IP(EA), eV:	-9.24(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-1-[4-[(1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NC(=NO3)C(C)(C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations