Geometry & MOs

Info

ID:	318892
PubChem CID:	126653633
Reduced:	NOC11H17 (4)
Stoich.:	ABC11D17 (4)
Weight, g/mol:	502.262028
ΔH_f, kcal/mol:	-240.3
Dipole, Da:	2.61
IP(EA), eV:	-7.89(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-bis[(1,1-dimethyl-2,3-dihydrobenzo[e]indol-2-yl)methylidene]cyclobutane-1,3-diol

Drug info:

PubChemData

Smile

CCC(CC)C(=O)NC1=CC2=C(C=C1C3C(C(C3O)C4=CC5=C(C=C4NC(=O)C(CC)CC)N(C(C5(C)C)C)C(C)C)O)C(C(N2C(C)C)C)(C)C

DOS

IR

Vibrations