Geometry & MOs

Info

ID:	80117
PubChem CID:	49833073
Reduced:	O2N8C27H28 (1)
Stoich.:	A2B8C27D28 (1)
Weight, g/mol:	528.077426
ΔH_f, kcal/mol:	26.8
Dipole, Da:	3.9
IP(EA), eV:	-8.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) 6-chloro-1-[4-(3-chloropropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

CCNC1=NC=C(C=N1)C2=CC3=C4C(=CN=C3C=C2)N(C(=O)N4C5=C(N=C(C=C5)N6CC[C@@H](C6)O)C)C

DOS

IR

Vibrations