Geometry & MOs

Info

ID:	327800
PubChem CID:	126691082
Reduced:	O4N5C25H29 (1)
Stoich.:	A4B5C25D29 (1)
Weight, g/mol:	392.246378
ΔH_f, kcal/mol:	-77.33
Dipole, Da:	9.55
IP(EA), eV:	-8.98(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidin-3-yl]carbamate

Drug info:

PubChemData

Smile

COC/C=C/C(=O)N1CCC(C1)N=C(/C(=C(/C2=CC=C(C=C2)OC3=CC=CC=C3)\N)/C(=O)N)N

DOS

IR

Vibrations