Geometry & MOs

Info

ID:	189658
PubChem CID:	77885521
Reduced:	Cl2N4O6C25H28 (1)
Stoich.:	A2B4C6D25E28 (1)
Weight, g/mol:	318.209599
ΔH_f, kcal/mol:	-206.48
Dipole, Da:	1.66
IP(EA), eV:	-9.0(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-prop-2-enyl-1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,12(21),14,16-pentaene

Drug info:

PubChemData

Smile

CCCCC(C(=O)N1C(=O)CN(C1=O)N=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)NC(=O)OC(C)(C)C

DOS

IR

Vibrations