Geometry & MOs

Info

ID:	430752
PubChem CID:	135170819
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-42.44
Dipole, Da:	2.83
IP(EA), eV:	-8.78(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-[(3-hydroxyphenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC(=CC=C2)O)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations