Geometry & MOs

Info

ID:	430903
PubChem CID:	135170971
Reduced:	O2F3N3C25H28 (1)
Stoich.:	A2B3C3D25E28 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	-199.56
Dipole, Da:	2.02
IP(EA), eV:	-8.73(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC(=CC=C2)OC(F)(F)F)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations