Geometry & MOs

Info

ID:	356558
PubChem CID:	127291784
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	391.204196
ΔH_f, kcal/mol:	-4.15
Dipole, Da:	4.11
IP(EA), eV:	-8.91(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-tert-butylimidazol-2-yl)sulfanyl-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=C(N(N=C3)C)C4CC4)C

DOS

IR

Vibrations