Geometry & MOs

Info

ID:	360222
PubChem CID:	127300865
Reduced:	O3N6C19H24 (1)
Stoich.:	A3B6C19D24 (1)
Weight, g/mol:	381.191323
ΔH_f, kcal/mol:	-34.18
Dipole, Da:	3.61
IP(EA), eV:	-8.6(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-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)N3CCCN(CC3)CC4=CN(N=C4)C

DOS

IR

Vibrations