Geometry & MOs

Info

ID:	309243
PubChem CID:	126540946
Reduced:	O3N5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	169.18305
ΔH_f, kcal/mol:	-61.3
Dipole, Da:	5.34
IP(EA), eV:	-8.28(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1,4-dimethylazecane

Drug info:

PubChemData

Smile

CC1=NC2=C(N1CC3=CC=C(C=C3)CNC(=O)CCCC(=O)O)C4=CC=CC=C4N=C2N

DOS

IR

Vibrations