Geometry & MOs

Info

ID:	445649
PubChem CID:	135268759
Reduced:	N3O4C19H29 (1)
Stoich.:	A3B4C19D29 (1)
Weight, g/mol:	499.167412
ΔH_f, kcal/mol:	-188.96
Dipole, Da:	5.5
IP(EA), eV:	-9.15(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(4-chlorophenyl)methyl]-7-ethyl-10-(2-fluorophenoxy)-5-(3-hydroxypropyl)-3-oxa-5,7,9-triazatricyclo[6.4.0.02,4]dodeca-1(8),9-dien-6-one

Drug info:

PubChemData

Smile

CCC1CC2=C(N=C1OCC3CCCC3)N(C(=O)N(C2=O)CCCO)C

DOS

IR

Vibrations