Geometry & MOs

Info

ID:	368422
PubChem CID:	127328505
Reduced:	O3N6C19H24 (1)
Stoich.:	A3B6C19D24 (1)
Weight, g/mol:	381.191323
ΔH_f, kcal/mol:	-53.52
Dipole, Da:	5.77
IP(EA), eV:	-9.28(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)N=CN(C2=O)C)C(=O)N3CCCC(C3)CN4C(=NC(=N4)C)C

DOS

IR

Vibrations