Geometry & MOs

Info

ID:	430776
PubChem CID:	135170843
Reduced:	FON3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	503.257277
ΔH_f, kcal/mol:	-69.7
Dipole, Da:	3.28
IP(EA), eV:	-9.0(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-[[3-(4-ethynylbenzoyl)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)N)C(=O)C2=CC3=C(N2)C=CC(=C3)F

DOS

IR

Vibrations