Geometry & MOs

Info

ID:	305542
PubChem CID:	124959065
Reduced:	N7C17H19 (1)
Stoich.:	A7B17C19 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	94.55
Dipole, Da:	5.04
IP(EA), eV:	-8.92(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CN=C(N1)C2=CC(=NC(=N2)C)[C@H]3CCCN3C4=NC=NC=C4

DOS

IR

Vibrations