Geometry & MOs

Info

ID:	430856
PubChem CID:	135170923
Reduced:	N5O5C43H53 (1)
Stoich.:	A5B5C43D53 (1)
Weight, g/mol:	401.246713
ΔH_f, kcal/mol:	-178.98
Dipole, Da:	3.04
IP(EA), eV:	-8.26(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC(=C(C=C2NC1C3=C4CCC(=O)NC4=CC(=C3)OC5CCNCC5)OC6CCNCC6)C7CC8=C(C=CC(=C8)OC9CCNCC9)C(=O)C7

DOS

IR

Vibrations