Geometry & MOs

Info

ID:	214229
PubChem CID:	84974713
Reduced:	ClO2N4C23H29 (1)
Stoich.:	AB2C4D23E29 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-35.44
Dipole, Da:	8.69
IP(EA), eV:	-8.55(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)Cl)CC(C)C

DOS

IR

Vibrations