Geometry & MOs

Info

ID:	320627
PubChem CID:	126662179
Reduced:	O2N3C27H39 (1)
Stoich.:	A2B3C27D39 (1)
Weight, g/mol:	400.236208
ΔH_f, kcal/mol:	-49.84
Dipole, Da:	4.6
IP(EA), eV:	-8.65(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[5-(4-formylcyclohexen-1-yl)pyridin-2-yl]oxymethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1CN2CCN(CC2)C(=O)C3CCC(=CC3)C4=CC=C(C=C4)OCC5CCNCC5

DOS

IR

Vibrations