Geometry & MOs

Info

ID:	356550
PubChem CID:	127291772
Reduced:	O3N5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	373.247775
ΔH_f, kcal/mol:	-62.28
Dipole, Da:	4.65
IP(EA), eV:	-9.22(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-5-ethylpyrazol-4-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)CCC3=NC(=NO3)C(C)C)C

DOS

IR

Vibrations