Geometry & MOs

Info

ID:	364800
PubChem CID:	127316141
Reduced:	BrON8C14H15 (1)
Stoich.:	ABC8D14E15 (1)
Weight, g/mol:	337.130553
ΔH_f, kcal/mol:	101.3
Dipole, Da:	7.36
IP(EA), eV:	-9.25(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC=CN2)C(=O)C3=NN4C=C(C=NC4=N3)Br

DOS

IR

Vibrations