Geometry & MOs

Info

ID:	347883
PubChem CID:	127272945
Reduced:	N3O4C17H29 (1)
Stoich.:	A3B4C17D29 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-189.92
Dipole, Da:	2.28
IP(EA), eV:	-8.87(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(C(=O)NCC1CCCO1)N2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations