Geometry & MOs

Info

ID:	353019
PubChem CID:	127284169
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	34.4
Dipole, Da:	6.77
IP(EA), eV:	-8.65(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

DOS

IR

Vibrations