Geometry & MOs

Info

ID:	445728
PubChem CID:	135269117
Reduced:	ClOSN6C22H25 (1)
Stoich.:	ABCD6E22F25 (1)
Weight, g/mol:	439.135505
ΔH_f, kcal/mol:	84.73
Dipole, Da:	0.44
IP(EA), eV:	-8.1(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(3-hydroxypropyl)-9-methyl-6-[3-(trifluoromethoxy)phenoxy]-7,9,11-triazatricyclo[6.4.0.02,5]dodeca-1(8),6-diene-10,12-dione

Drug info:

PubChemData

Smile

CC1=CN=C(S1)CN2C3=C(N=C2OC4=CC=C(C=C4)Cl)N(C(=C)N(C3=C)CCCN)C

DOS

IR

Vibrations