Geometry & MOs

Info

ID:	156996
PubChem CID:	56404821
Reduced:	O2N3C28H35 (1)
Stoich.:	A2B3C28D35 (1)
Weight, g/mol:	413.24269
ΔH_f, kcal/mol:	-37.19
Dipole, Da:	5.16
IP(EA), eV:	-8.64(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5

DOS

IR

Vibrations