Geometry & MOs

Info

ID:	214448
PubChem CID:	85083051
Reduced:	ClO2N6C29H35 (1)
Stoich.:	AB2C6D29E35 (1)
Weight, g/mol:	532.984075
ΔH_f, kcal/mol:	-28.36
Dipole, Da:	2.94
IP(EA), eV:	-8.7(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCC1(CC(N2C1=C(N=C(C2=O)NCCCC3=CC=CC=C3)Cl)C(=O)NCC4=CC=C(C=C4)C(=N)N)C

DOS

IR

Vibrations