Geometry & MOs

Info

ID:	161987
PubChem CID:	57393246
Reduced:	ClO2N3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	520.264983
ΔH_f, kcal/mol:	24.62
Dipole, Da:	4.88
IP(EA), eV:	-8.76(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(Z)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC=CC=C2OCC(=O)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations