Geometry & MOs

Info

ID:	216910
PubChem CID:	85086958
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	39.29
Dipole, Da:	5.35
IP(EA), eV:	-8.8(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-aminooxetan-3-yl)-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C2=NC=C(C(=C2C=N1)NC(C)C(C)C)C3=NN=C(O3)C

DOS

IR

Vibrations