Geometry & MOs

Info

ID:	43674
PubChem CID:	10321631
Reduced:	N2O3H28C29 (1)
Stoich.:	A2B3C28D29 (1)
Weight, g/mol:	452.221226
ΔH_f, kcal/mol:	15.36
Dipole, Da:	3.53
IP(EA), eV:	-9.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[5-(cycloheptanecarbonylamino)-1H-indol-2-yl]phenyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC=CC=C1)C2=C(C(=NO2)C3=CC=CC=C3)C4=N[C@H]([C@@H](O4)C5=CC=CC=C5)COC

DOS

IR

Vibrations