Geometry & MOs

Info

ID:	342210
PubChem CID:	127264987
Reduced:	BrClO3N4H18C24 (1)
Stoich.:	ABC3D4E18F24 (1)
Weight, g/mol:	382.119654
ΔH_f, kcal/mol:	29.15
Dipole, Da:	5.24
IP(EA), eV:	-8.94(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=CC=CC(=C2)C3=NNC(=C3)C(=O)NN/C=C\4/C=C(C=CC4=O)Br)Cl

DOS

IR

Vibrations