Geometry & MOs

Info

ID:	430845
PubChem CID:	135170912
Reduced:	ON6C24H28 (1)
Stoich.:	AB6C24D28 (1)
Weight, g/mol:	388.226312
ΔH_f, kcal/mol:	82.7
Dipole, Da:	7.54
IP(EA), eV:	-8.78(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-aminophenyl)methylamino]cyclohex-3-en-1-yl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations