Geometry & MOs

Info

ID:	162592
PubChem CID:	57395162
Reduced:	ON7H17C19 (1)
Stoich.:	AB7C17D19 (1)
Weight, g/mol:	404.134536
ΔH_f, kcal/mol:	135.69
Dipole, Da:	2.27
IP(EA), eV:	-8.94(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[11-(furan-2-yl)-4-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-yl]-3-(4-methoxyphenyl)urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCN2C3=C(C=N2)N=C(N4C3=NC(=N4)C5=CC=CO5)N

DOS

IR

Vibrations