Geometry & MOs

Info

ID:	165878
PubChem CID:	74608997
Reduced:	N5O5C24H29 (1)
Stoich.:	A5B5C24D29 (1)
Weight, g/mol:	486.281535
ΔH_f, kcal/mol:	-160.51
Dipole, Da:	3.14
IP(EA), eV:	-9.74(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-N-butyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=NC=C(C=C3)C(=O)OC

DOS

IR

Vibrations