Geometry & MOs

Info

ID:	355577
PubChem CID:	127289335
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	-17.84
Dipole, Da:	6.02
IP(EA), eV:	-9.04(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-8-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CN3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations