Geometry & MOs

Info

ID:	364824
PubChem CID:	127316232
Reduced:	OSN4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	341.148789
ΔH_f, kcal/mol:	3.29
Dipole, Da:	3.35
IP(EA), eV:	-9.01(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=CS2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations