Geometry & MOs

Info

ID:	181679
PubChem CID:	76773914
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	419.314792
ΔH_f, kcal/mol:	-8.98
Dipole, Da:	7.16
IP(EA), eV:	-9.24(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-10-(9-hydroxy-8-oxononyl)-2,4,10-triazatricyclo[9.4.0.03,8]pentadecan-9-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2CC3CC2CN3C4=NC=C(C=N4)C(=O)NO

DOS

IR

Vibrations