Geometry & MOs

Info

ID:	80280
PubChem CID:	49833826
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	509.090912
ΔH_f, kcal/mol:	29.62
Dipole, Da:	4.23
IP(EA), eV:	-8.55(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(N=N1)C(CCN(C)C)C2=C(C3=CC=CC=C3C(=C2)OC)OC

DOS

IR

Vibrations