Geometry & MOs

Info

ID:	403521
PubChem CID:	135060643
Reduced:	N2C19H22 (1)
Stoich.:	A2B19C22 (1)
Weight, g/mol:	678.05902
ΔH_f, kcal/mol:	29.34
Dipole, Da:	0.69
IP(EA), eV:	-7.64(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4-(2-bromophenyl)-3-iodo-6-methyl-2-pentyl-4H-pyrido[2,3-b]indole-1,9-dicarboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C(C=CC=C31)NC4CCCCC4

DOS

IR

Vibrations