Geometry & MOs

Info

ID:	351758
PubChem CID:	127282158
Reduced:	O2N7C20H29 (1)
Stoich.:	A2B7C20D29 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-26.06
Dipole, Da:	7.25
IP(EA), eV:	-9.02(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)C(=O)N3CCN(CC3)C(C)C(=O)NC4CCCC4)C

DOS

IR

Vibrations