Geometry & MOs

Info

ID:	446896
PubChem CID:	135278550
Reduced:	OF2N7H25C26 (1)
Stoich.:	AB2C7D25E26 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	0.78
Dipole, Da:	4.48
IP(EA), eV:	-8.11(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6S)-1-(methylideneamino)-2-phenoxy-6-piperidin-4-yl-1,3-diazinan-2-yl]acetonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)NC3=C(C(=NC=N3)OC4=CC(=C5C(=C4F)C=C(N5)C)F)C#N

DOS

IR

Vibrations