Geometry & MOs

Info

ID:	343267
PubChem CID:	127266440
Reduced:	FON2H15C20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	347.199762
ΔH_f, kcal/mol:	5.58
Dipole, Da:	4.33
IP(EA), eV:	-8.95(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butylphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C3=C1C=C(C=C3)C(=O)NNC4=CC=C(C=C4)F

DOS

IR

Vibrations