Geometry & MOs

Info

ID:	136379
PubChem CID:	52030873
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	397.18017
ΔH_f, kcal/mol:	-62.44
Dipole, Da:	3.6
IP(EA), eV:	-9.35(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=C(N=C(N(C1=O)CCC(=O)NCC2=CC=CO2)C3=CC=CC=C3)C

DOS

IR

Vibrations