Geometry & MOs

Info

ID:	320619
PubChem CID:	126662119
Reduced:	O2N5C30H45 (1)
Stoich.:	A2B5C30D45 (1)
Weight, g/mol:	460.293722
ΔH_f, kcal/mol:	-21.35
Dipole, Da:	3.42
IP(EA), eV:	-8.23(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[4-[5-(methoxycarbamoyl)hept-1-en-2-yl]phenoxy]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2CCC(=CC2)C3=CC=C(C=C3)OCC4CCN(CC4)C5=NC(=NO5)C(C)C

DOS

IR

Vibrations