Geometry & MOs

Info

ID:	188554
PubChem CID:	77732508
Reduced:	ON2C14H16 (3)
Stoich.:	AB2C14D16 (3)
Weight, g/mol:	559.235098
ΔH_f, kcal/mol:	-33.02
Dipole, Da:	8.16
IP(EA), eV:	-8.96(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=CC=N2)NCCCC(C(=O)O)NC(=O)C3=CC=C(C=C3)CNC4CCCC5=C4N=CC=C5.C1=CC=C2C(=C1)C=CC=C2CN

DOS

IR

Vibrations