Geometry & MOs

Info

ID:	438505
PubChem CID:	135228247
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	339.088688
ΔH_f, kcal/mol:	-46.71
Dipole, Da:	3.44
IP(EA), eV:	-7.82(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-but-1-ynyl-15-chloro-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl)methanol

Drug info:

PubChemData

Smile

CC(NNC1=C(C=CC(=C1)OC)N)OC

DOS

IR

Vibrations