Geometry & MOs

Info

ID:	174495
PubChem CID:	75772982
Reduced:	N3O4C28H31 (1)
Stoich.:	A3B4C28D31 (1)
Weight, g/mol:	427.166269
ΔH_f, kcal/mol:	-93.48
Dipole, Da:	6.48
IP(EA), eV:	-8.38(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-4-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CNC(=O)CCN2C(NC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations