Geometry & MOs

Info

ID:	352364
PubChem CID:	127283451
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	382.175339
ΔH_f, kcal/mol:	-8.94
Dipole, Da:	5.1
IP(EA), eV:	-8.64(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)C(=O)N3CCN(CC3)CC4=NC(=C(O4)C)C

DOS

IR

Vibrations