Geometry & MOs

Info

ID:	403437
PubChem CID:	135060315
Reduced:	ClN2O2H21C27 (1)
Stoich.:	AB2C2D21E27 (1)
Weight, g/mol:	408.200177
ΔH_f, kcal/mol:	11.68
Dipole, Da:	6.51
IP(EA), eV:	-8.53(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-6-methyl-9H-pyrido[2,3-b]indole

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2N=C(C=C(N2C3=C1C=C(C=C3)C)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations