Geometry & MOs

Info

ID:	189071
PubChem CID:	77812076
Reduced:	PN5O13C17H26 (1)
Stoich.:	AB5C13D17E26 (1)
Weight, g/mol:	558.251858
ΔH_f, kcal/mol:	-563.58
Dipole, Da:	11.84
IP(EA), eV:	-9.63(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(5-phenyl-1,2,3,4-tetrahydro-3-benzazepin-5-yl) but-2-enedioate

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1O)OC(=O)CNCP(=O)(O)O)O.C(CC(=O)O)C(=O)O.C(=CC(=O)NN)C(=O)NN

DOS

IR

Vibrations