Geometry & MOs

Info

ID:	430893
PubChem CID:	135170961
Reduced:	ON3C27H33 (1)
Stoich.:	AB3C27D33 (1)
Weight, g/mol:	415.262363
ΔH_f, kcal/mol:	21.29
Dipole, Da:	5.16
IP(EA), eV:	-8.62(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC(=C4)C5CC5

DOS

IR

Vibrations