Geometry & MOs

Info

ID:	342257
PubChem CID:	127265034
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	63.92
Dipole, Da:	8.9
IP(EA), eV:	-9.08(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(4,4-dimethylpent-2-enoylamino)phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C2N1N=C(C=C2)NC(C3CCCO3)C4=CC=CC=C4

DOS

IR

Vibrations