Geometry & MOs

Info

ID:	403350
PubChem CID:	135059842
Reduced:	S2N3H13C18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	416.113648
ΔH_f, kcal/mol:	128.33
Dipole, Da:	5.2
IP(EA), eV:	-8.46(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[3-[4-(trifluoromethyl)phenyl]-5H-pyrido[4,3-b]indol-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C(=C(C(=N3)C4=CC=CS4)C#N)SC

DOS

IR

Vibrations