Geometry & MOs

Info

ID:	430892
PubChem CID:	135170960
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	415.262363
ΔH_f, kcal/mol:	-72.37
Dipole, Da:	4.65
IP(EA), eV:	-8.73(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(benzylamino)cyclohexyl]-5-cyclopropyl-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2CCOCC2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations