Geometry & MOs

Info

ID:	320628
PubChem CID:	126662180
Reduced:	N2O4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	533.419257
ΔH_f, kcal/mol:	-168.24
Dipole, Da:	4.68
IP(EA), eV:	-9.16(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[5-[4-[[2-(diethylamino)ethylamino]-hydroxymethyl]cyclohexen-1-yl]hepta-2,6-dienoxymethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC=C(C=C2)C3=CCC(CC3)C=O

DOS

IR

Vibrations