Geometry & MOs

Info

ID:	335890
PubChem CID:	127254752
Reduced:	N3O4H19C21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	405.130026
ΔH_f, kcal/mol:	-99.97
Dipole, Da:	1.9
IP(EA), eV:	-9.32(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-N-[4-(trifluoromethoxy)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations