Geometry & MOs

Info

ID:	353630
PubChem CID:	127285207
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-106.08
Dipole, Da:	4.21
IP(EA), eV:	-8.72(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-benzyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)CC(=O)N2CCN(C(C2)(C)C)CC3=CC=CC=C3

DOS

IR

Vibrations