Geometry & MOs

Info

ID:	146979
PubChem CID:	53776904
Reduced:	BrClO2C4H6 (1)
Stoich.:	ABC2D4E6 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	-88.19
Dipole, Da:	2.64
IP(EA), eV:	-10.31(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]formamide

Drug info:

PubChemData

Smile

C1COC(O1)C(Cl)Br

DOS

IR

Vibrations