Geometry & MOs

Info

ID:	364832
PubChem CID:	127316273
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-41.69
Dipole, Da:	4.18
IP(EA), eV:	-9.02(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CCC2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations