Geometry & MOs

Info

ID:	318603
PubChem CID:	126652216
Reduced:	O2N4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	504.290055
ΔH_f, kcal/mol:	-24.22
Dipole, Da:	6.37
IP(EA), eV:	-7.87(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[(6-cyano-3-methyl-1H-indol-2-yl)-propan-2-ylamino]-2-fluoro-6-methylphenyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(N2)N(C4=CC(=C(C=C4C3=O)OC)N5CCN(CC5)C)C(C)C

DOS

IR

Vibrations