Geometry & MOs

Info

ID:	420187
PubChem CID:	135111735
Reduced:	ClO2N4C15H21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	378.145868
ΔH_f, kcal/mol:	-70.82
Dipole, Da:	2.3
IP(EA), eV:	-9.28(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-[(2R)-2-methylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C[C@@H]3C2)C)Cl

DOS

IR

Vibrations