Geometry & MOs

Info

ID:	431274
PubChem CID:	135171345
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-82.15
Dipole, Da:	3.18
IP(EA), eV:	-9.25(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[dihydroxy(phenyl)methyl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NC(C2=CC=CC=C2)(O)O)C(=O)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations