Geometry & MOs

Info

ID:	49956
PubChem CID:	11538371
Reduced:	INOC18H18 (1)
Stoich.:	ABCD18E18 (1)
Weight, g/mol:	391.114135
ΔH_f, kcal/mol:	14.51
Dipole, Da:	5.06
IP(EA), eV:	-9.3(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)N2CC3=C(C2=O)C(=CC=C3)I

DOS

IR

Vibrations