Geometry & MOs

Info

ID:	382067
PubChem CID:	134972985
Reduced:	N3O5H29C33 (1)
Stoich.:	A3B5C29D33 (1)
Weight, g/mol:	547.210721
ΔH_f, kcal/mol:	-53.26
Dipole, Da:	5.61
IP(EA), eV:	-8.46(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methoxy-3-[2-(9-methyl-5-phenyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzoxazepin-2-yl)phenoxy]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C=C1)OC)OC2=CC=C(C=C2)C3=NN4C(=N3)CC(OC5=C4C=C(C=C5)C)C6=CC=CC=C6

DOS

IR

Vibrations