Geometry & MOs

Info

ID:	180334
PubChem CID:	76617130
Reduced:	OF3N3H12C17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	511.208276
ΔH_f, kcal/mol:	-109.32
Dipole, Da:	5.13
IP(EA), eV:	-8.36(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxoprop-1-enyl]-5-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN2)C=C1NC(=O)C=CC3=CN=C(C=C3)C(F)(F)F

DOS

IR

Vibrations