Geometry & MOs

Info

ID:	320601
PubChem CID:	126661981
Reduced:	N5O5C33H47 (1)
Stoich.:	A5B5C33D47 (1)
Weight, g/mol:	541.351572
ΔH_f, kcal/mol:	-144.97
Dipole, Da:	6.5
IP(EA), eV:	-8.69(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[4-[(E)-7-(4-carbamoylpiperidin-1-yl)-6-methyl-7-oxohept-2-en-3-yl]phenoxy]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1)N2CCC(CC2)COC3=CC=C(C=C3)C4=CCC(CC4)C(=O)N(CC)C/C(=N\OC)/C(CO)CO

DOS

IR

Vibrations