Geometry & MOs

Info

ID:	132610
PubChem CID:	51385892
Reduced:	O4N5C20H21 (1)
Stoich.:	A4B5C20D21 (1)
Weight, g/mol:	379.294725
ΔH_f, kcal/mol:	4.83
Dipole, Da:	10.43
IP(EA), eV:	-8.73(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-7-butyl-11-methyl-2-oxo-N-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]2CC(=NC3=NN=NN23)C4=CC(=C(C=C4)OC)OC)OC

DOS

IR

Vibrations