Geometry & MOs

Info

ID:	364811
PubChem CID:	127316153
Reduced:	ON7C16H19 (1)
Stoich.:	AB7C16D19 (1)
Weight, g/mol:	355.16444
ΔH_f, kcal/mol:	71.95
Dipole, Da:	3.33
IP(EA), eV:	-9.14(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=NC=CN4)N=N1

DOS

IR

Vibrations