Geometry & MOs

Info

ID:	67881
PubChem CID:	46507358
Reduced:	ClN3H12C14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	337.117489
ΔH_f, kcal/mol:	79.76
Dipole, Da:	2.63
IP(EA), eV:	-8.81(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaen-5-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN3C=CN=C(C3=C2)Cl)C

DOS

IR

Vibrations