Geometry & MOs

Info

ID:	83920
PubChem CID:	49862559
Reduced:	O2N7C28H33 (1)
Stoich.:	A2B7C28D33 (1)
Weight, g/mol:	383.257277
ΔH_f, kcal/mol:	16.33
Dipole, Da:	5.14
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(=O)NCC2=CC(=CC=C2)N3C(=CC(=N3)C(C)(C)C)NC(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations