Geometry & MOs

Info

ID:	359430
PubChem CID:	127298567
Reduced:	ON7C20H29 (1)
Stoich.:	AB7C20D29 (1)
Weight, g/mol:	381.135842
ΔH_f, kcal/mol:	40.17
Dipole, Da:	6.38
IP(EA), eV:	-8.84(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=N1)CN2CCN(CC2)CC(=O)N3CCCC4=CC=CC=C43

DOS

IR

Vibrations