Geometry & MOs

Info

ID:	122177
PubChem CID:	50796998
Reduced:	O3N5C29H33 (1)
Stoich.:	A3B5C29D33 (1)
Weight, g/mol:	487.213888
ΔH_f, kcal/mol:	-26.38
Dipole, Da:	6.33
IP(EA), eV:	-8.16(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)ethyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN3C=CN=C(C3=C2)N4CCC(CC4)C(=O)NCC5=C(C=C(C=C5)OC)OC)C

DOS

IR

Vibrations