Geometry & MOs

Info

ID:	297815
PubChem CID:	117632815
Reduced:	FN7H18C21 (1)
Stoich.:	AB7C18D21 (1)
Weight, g/mol:	353.159121
ΔH_f, kcal/mol:	124.53
Dipole, Da:	5.59
IP(EA), eV:	-8.88(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(3,4-difluorophenyl)ethynyl]phenyl]-(4,4-dimethylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C=N1)C2=NCC(=C)N3CCC4=C(C=CC=C4C3=C2)C5=CN=C(C=N5)F

DOS

IR

Vibrations