Geometry & MOs

Info

ID:	431181
PubChem CID:	135171251
Reduced:	IN2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	390.241962
ΔH_f, kcal/mol:	14.42
Dipole, Da:	3.06
IP(EA), eV:	-8.79(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN[C@H]1CCC[C@H](C1)NCC2=CC(=CC=C2)I

DOS

IR

Vibrations