Geometry & MOs

Info

ID:	217261
PubChem CID:	85087519
Reduced:	O3N5C17H25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	347.209658
ΔH_f, kcal/mol:	-45.23
Dipole, Da:	4.56
IP(EA), eV:	-8.84(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(2,6-dimethoxyphenyl)ethenyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(CN(C=O)O)C(=O)NNC1=NC2=CC=CC=C2N1C

DOS

IR

Vibrations