Geometry & MOs

Info

ID:	430951
PubChem CID:	135171021
Reduced:	ON3C22H31 (1)
Stoich.:	AB3C22D31 (1)
Weight, g/mol:	404.257612
ΔH_f, kcal/mol:	-7.37
Dipole, Da:	3.5
IP(EA), eV:	-8.73(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-amino-3-methylphenyl)methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCCC2CC2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations