Geometry & MOs

Info

ID:	80222
PubChem CID:	49833639
Reduced:	ClN4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	597.179727
ΔH_f, kcal/mol:	71.09
Dipole, Da:	2.54
IP(EA), eV:	-8.91(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) 1-[4-[3-[bis(2-hydroxyethyl)amino]propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

CN(C)CCC(C1=CC=C(C=C1)Cl)N2N=CC=N2

DOS

IR

Vibrations