Geometry & MOs

Info

ID:	360417
PubChem CID:	127301062
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	-80.06
Dipole, Da:	2.63
IP(EA), eV:	-8.96(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3=CC(=CC=C3)NC(=O)C4CCCO4

DOS

IR

Vibrations