Geometry & MOs

Info

ID:	361125
PubChem CID:	127302041
Reduced:	ON4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	330.180424
ΔH_f, kcal/mol:	-18.69
Dipole, Da:	6.28
IP(EA), eV:	-8.36(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)C(=O)NCC3CN(CCN3C)C)C

DOS

IR

Vibrations