Geometry & MOs

Info

ID:	351472
PubChem CID:	127280360
Reduced:	O3N4C20H34 (1)
Stoich.:	A3B4C20D34 (1)
Weight, g/mol:	390.237939
ΔH_f, kcal/mol:	-161.48
Dipole, Da:	3.58
IP(EA), eV:	-9.26(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-oxo-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)CN2CCCC2)NC(=O)C3CCCCC3

DOS

IR

Vibrations