Geometry & MOs

Info

ID:	356569
PubChem CID:	127291795
Reduced:	O2N7C20H27 (1)
Stoich.:	A2B7C20D27 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	8.34
Dipole, Da:	4.34
IP(EA), eV:	-8.54(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=CC(=NN3)C4=C(N(N=C4C)C)C)C

DOS

IR

Vibrations