Geometry & MOs

Info

ID:	352378
PubChem CID:	127283465
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	397.191403
ΔH_f, kcal/mol:	-41.34
Dipole, Da:	5.36
IP(EA), eV:	-9.24(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43)C

DOS

IR

Vibrations