Geometry & MOs

Info

ID:	186536
PubChem CID:	77443289
Reduced:	N4C29H30 (1)
Stoich.:	A4B29C30 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	156.23
Dipole, Da:	3.15
IP(EA), eV:	-8.83(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(hydroxymethyl)-3-methyloxolan-2-yl]-11-methyl-4,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,6,8,11-pentaen-10-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=CC=N2)CC=CCC3=C(C=C(C=C3)N4C=CC=N4)CC=CCC=C

DOS

IR

Vibrations