Geometry & MOs

Info

ID:	430870
PubChem CID:	135170937
Reduced:	NOC12H18 (2)
Stoich.:	ABC12D18 (2)
Weight, g/mol:	393.221641
ΔH_f, kcal/mol:	-44.6
Dipole, Da:	1.8
IP(EA), eV:	-8.17(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(3R)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCN/C=C\C(=C/C=C)\C=C\C1=CC=C(C=C1)N(CCO)CCO

DOS

IR

Vibrations