Geometry & MOs

Info

ID:	430844
PubChem CID:	135170911
Reduced:	O3N4H32C33 (1)
Stoich.:	A3B4C32D33 (1)
Weight, g/mol:	416.23246
ΔH_f, kcal/mol:	35.19
Dipole, Da:	3.38
IP(EA), eV:	-8.57(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-[(4-azidophenyl)methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCC=C(C1)NCC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)OCC#C)C(=O)C4=CC5=C(N4)C=CC=N5

DOS

IR

Vibrations