Geometry & MOs

Info

ID:	356571
PubChem CID:	127291797
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-90.12
Dipole, Da:	6.47
IP(EA), eV:	-8.73(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butylpyrazol-4-yl)-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1)C(=O)N2CCN(CC2)CC3=NC(=C(O3)C)C

DOS

IR

Vibrations