Geometry & MOs

Info

ID:	336986
PubChem CID:	127256551
Reduced:	N3O8H21C22 (1)
Stoich.:	A3B8C21D22 (1)
Weight, g/mol:	456.141156
ΔH_f, kcal/mol:	-116.44
Dipole, Da:	9.19
IP(EA), eV:	-9.26(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-benzyl-3,4-dichlorocyclobutyl)-diphenylmethyl]benzene

Drug info:

PubChemData

Smile

C1CN2CC[C@H]([C@H]2[C@H]1COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations