Geometry & MOs

Info

ID:	181698
PubChem CID:	76778720
Reduced:	ClOC15H15 (1)
Stoich.:	ABC15D15 (1)
Weight, g/mol:	608.228929
ΔH_f, kcal/mol:	-34.5
Dipole, Da:	1.5
IP(EA), eV:	-8.4(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(chloromethyl)-5-hydroxy-9-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-1H-indene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=CC3=C2C(CC3)CCl)O

DOS

IR

Vibrations