Geometry & MOs

Info

ID:	440784
PubChem CID:	135231457
Reduced:	N2C7H12 (1)
Stoich.:	A2B7C12 (1)
Weight, g/mol:	492.167666
ΔH_f, kcal/mol:	37.09
Dipole, Da:	3.15
IP(EA), eV:	-9.38(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

C/C=C\C(=NC=C)CN

DOS

IR

Vibrations