Geometry & MOs

Info

ID:	438552
PubChem CID:	135228295
Reduced:	O3N6C21H34 (1)
Stoich.:	A3B6C21D34 (1)
Weight, g/mol:	403.119988
ΔH_f, kcal/mol:	-131.78
Dipole, Da:	3.83
IP(EA), eV:	-9.38(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-chloro-5-ethenyl-9-(phenylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)NCCCCC(=O)NC(CCCCN=C(N)N)C(=O)N

DOS

IR

Vibrations