Geometry & MOs

Info

ID:	218324
PubChem CID:	85089173
Reduced:	N2O6H24C25 (1)
Stoich.:	A2B6C24D25 (1)
Weight, g/mol:	448.163436
ΔH_f, kcal/mol:	-164.53
Dipole, Da:	3.39
IP(EA), eV:	-9.12(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-hydroxy-1-(hydroxymethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

C=CC1=C(C=CN(C1=O)C2CC(C(O2)CO)O)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations